SCHEMBL316289

SCHEMBL316289

NNC(=O)Cn1cnnn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HMOX1 P09601 1/20 0.44
TP53 P04637 2/20 0.43
ALPG P10696 1/20 0.43
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
PKM P14618 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11216208 0.78 ALDH1A1 (0.47) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL1178106 0.78
Hydrochloric Acid SCHEMBL1291958 0.76 ALPG (0.49) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL3762300 0.74
Water SCHEMBL11813782 0.74 HMOX1 (0.51) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL48809 0.74
Hydrochloric Acid SCHEMBL1375622 0.74 HMOX1 (0.51) ALDH1A1HSD17B10MEN1KMT2AHMOX1
SCHEMBL2825206 0.73 FOLH1 (0.38) ALDH1A1PKM
SCHEMBL315947 0.73 ALDH1A1 (0.52) ALDH1A1HSD17B10MEN1KMT2AHMOX1
Lithium Ion SCHEMBL11855287 0.72 ALDH1A1 (0.48) ALDH1A1HSD17B10MEN1KMT2AHMOX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185575-B1 HETEROARYL-METHYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1A ANTAGONISTS HOFFMANN LA ROCHE (CH) 2024-08-28 EP disclosed
CN-116234801-A Heteroaryl-methyl substituted triazoles as vasopressin receptor V1A antagonists 豪夫迈·罗氏有限公司 2023-06-06 CN disclosed
EP-4185575-A1 HETEROARYL-METHYL SUBSTITUTED TRIAZOLES AS VASOPRESSIN RECEPTOR V1 A ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2023-05-31 EP disclosed
US-20230150995-A1 HETEROARYL-METHYL SUBSTITUTED TRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2023-05-18 US disclosed
US-11413274-B2 Methods and compositions associated with the granulocyte colony-stimulating factor receptor LIGAND PHARMACEUTICALS, INC. (US) 2022-08-16 US disclosed
US-20210046045-A1 METHODS AND COMPOSITIONS ASSOCIATED WITH THE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2021-02-18 US disclosed
US-10736875-B2 Methods and compositions associated with the granulocyte colony-stimulating factor receptor LIGAND PHARMACEUTICALS, INC. (US) 2020-08-11 US disclosed
US-20180369197-A1 METHODS AND COMPOSITIONS ASSOCIATED WITH THE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-12-27 US disclosed
US-10111859-B2 Methods and compositions associated with the granulocyte colony-stimulating factor receptor LIGAND PHARMACEUTICALS, INC. (US) 2018-10-30 US disclosed
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180369197-A1 METHODS AND COMPOSITIONS ASSOCIATED WITH THE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR CSF3R, GMFG, CSF1R ALDH1A1 1768/4885HSD17B10 3709/4885MEN1 2845/4885
US-20230150995-A1 HETEROARYL-METHYL SUBSTITUTED TRIAZOLES CYP3A43, CYP3A4, CYP4B1 ALDH1A1 943/4885HSD17B10 1579/4885MEN1 381/4885
US-11413274-B2 Methods and compositions associated with the granulocyte colony-stimulating factor receptor CSF3R, GMFG, CSF1R ALDH1A1 1768/4885HSD17B10 3709/4885MEN1 2845/4885
US-10111859-B2 Methods and compositions associated with the granulocyte colony-stimulating factor receptor CSF3R, GMFG, CSF1R ALDH1A1 1768/4885HSD17B10 3709/4885MEN1 2845/4885
US-20210046045-A1 METHODS AND COMPOSITIONS ASSOCIATED WITH THE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR CSF3R, GMFG, CSF1R ALDH1A1 1768/4885HSD17B10 3709/4885MEN1 2845/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 ALDH1A1 2650/4885HSD17B10 293/4885MEN1 2639/4885
US-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS ALDH1A1 2258/4885HSD17B10 1728/4885MEN1 2415/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ALDH1A1 2031/4885HSD17B10 2776/4885MEN1 1081/4885
US-10736875-B2 Methods and compositions associated with the granulocyte colony-stimulating factor receptor CSF3R, GMFG, CSF1R ALDH1A1 1768/4885HSD17B10 3709/4885MEN1 2845/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.