SCHEMBL999934

SCHEMBL999934

O=CCCN1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
CXCR4 P61073 2/20 0.43
HSD17B10 Q99714 1/20 0.39
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
SIGMAR1 Q99720 4/20 0.37
RAD52 P43351 1/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
Hydrochloric Acid SCHEMBL8822030 0.98 SMN1; SMN2 (0.43) SMN1; SMN2POLBCXCR4HSD17B10ANPEP
Hydrochloric Acid SCHEMBL8822105 0.98 SMN1; SMN2 (0.43) SMN1; SMN2POLBCXCR4HSD17B10ANPEP
SCHEMBL1999568 0.92 CXCR4 (0.57) SMN1; SMN2POLBCXCR4SIGMAR1RAD52
SCHEMBL7662951 0.86
SCHEMBL947587 0.86 CXCR4 (0.50) SMN1; SMN2POLBCXCR4HSD17B10ANPEP
SCHEMBL2657753 0.85 CXCR4 (0.52) SMN1; SMN2POLBCXCR4HSD17B10ANPEP
SCHEMBL7356358 0.83 CXCR4 (0.55) SMN1; SMN2POLBCXCR4SIGMAR1ALDH1A1
SCHEMBL5362273 0.82
SCHEMBL13464060 0.81 CXCR4 (0.46) SMN1; SMN2POLBCXCR4SIGMAR1RAD52
SCHEMBL4508116 0.80 POLB (0.48) SMN1; SMN2POLBCXCR4HSD17B10ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US claimed
CN-101490041-A 2-heterocycloamino-4-imidazolylpyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-07-22 CN claimed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP claimed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 WO claimed
WO-2023205914-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-11-02 WO disclosed
CN-116568312-A Stable semi-solid chewable gel compositions and methods of making and using the same 西雅图咖米公司 2023-08-08 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
EP-3196200-B1 2-AMINOTHIAZOLE DERIVATIVES OR SALT THEREOF AS MUSCARINIC M3 LIGANDS FOR THE TREATMENT OF BLADDER DISEASES ASTELLAS PHARMA INC (JP) 2019-05-08 EP disclosed
US-10053467-B2 Therapeutic isoxazole compounds DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-21 US disclosed
EP-3311813-A1 THERAPEUTIC ISOXAZOLE COMPOUNDS Dart Neuroscience (Cayman) Ltd (KY) 2018-04-25 EP disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed
CN-1016869-B Process for preparing 6, 7-diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KK (JP) 1992-06-03 CN disclosed
CN-1060291-A The novel method of preparation 6-acyl group-7-deacetylforskolin derivatives HOECHST JAPAN (JP) 1992-04-15 CN disclosed
EP-0469428-A1 Novel process for producing 6-acyl-7-deacetylforskolin derivatives HOECHST JAPAN LIMITED (JP) 1992-02-05 EP disclosed
CN-1030583-A Preparation 6,7-diacyl-7-takes off the novel method of acetyl forskrine derivant NIPPON KAYAKU KK (JP) 1989-01-25 CN disclosed
EP-0297496-A2 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-01-04 EP disclosed
US-4742057-A Antiallergic thiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
CN-86108205-A New thiazolium compounds and preparation method thereof and their pharmaceutical composition 1987-06-17 CN disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 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-10053467-B2 Therapeutic isoxazole compounds MAOB, MAOA, XDH SMN1; SMN2 1120/4885POLB 941/4885CXCR4 1346/4885
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 SMN1; SMN2 1708/4885POLB 417/4885CXCR4 2849/4885

“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.