SCHEMBL7835747

SCHEMBL7835747

O=c1ccnc(N2CCCCC2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ADORA1 P30542 3/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.39
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL803675 0.98 HSD17B10 (0.46) HSD17B10MEN1KMT2ACYP1A2CYP2C19
SCHEMBL1129663 0.84 HRH3 (0.44) HSD17B10CYP1A2KDM4EALDH1A1
SCHEMBL497431 0.82 DCTPP1 (0.48) HSD17B10MEN1KMT2AMAPK1ALDH1A1
SCHEMBL14921731 0.78 MEN1 (0.36) HSD17B10MEN1KMT2AACHESMN1; SMN2
SCHEMBL20606156 0.71 KMT2A (0.41) HSD17B10KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL18075521 0.71 MEN1 (0.37) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL8809712 0.70 MAPT (0.60) MEN1KMT2ACYP1A2MAPK1LMNA
SCHEMBL21380954 0.69 MEN1 (0.42) HSD17B10MEN1KMT2ACYP1A2CYP2C19
SCHEMBL5380085 0.68 HSD17B10 (0.77) HSD17B10MEN1KMT2ACYP1A2CYP2C19
SCHEMBL311710 0.68 BCHE (0.42) MEN1KMT2ACYP1A2CYP2C19BCHE

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 CN disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 CN disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
EP-2968286-A2 2-AMINOPYRIMIDIN-6-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES Deciphera Pharmaceuticals, LLC (US) 2016-01-20 EP disclosed
WO-2014145025-A2 2-AMINOPYRIMIDIN-6-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 WO disclosed
EP-1136489-A1 2-[Piperidin-1-yl]pyrimidone derivatives SANOFI-SYNTHELABO (FR) 2001-09-26 EP 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 (2 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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 HSD17B10 2414/4885MEN1 1930/4885KMT2A 1226/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 HSD17B10 2348/4885MEN1 2535/4885KMT2A 1445/4885

“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.