SCHEMBL9213019

SCHEMBL9213019

CNc1nnc(C(C)C)s1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.49
ALDH1A1 P00352 8/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
TP53 P04637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.45
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20713190 0.82 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL19859638 0.79 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL19859639 0.79 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL11584394 0.76
SCHEMBL14012701 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL11871419 0.76 LMNA (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL1451543 0.73 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL23376776 0.71 LMNA (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL19859586 0.70 LMNA (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL18056269 0.69 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1RAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-11242352-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2022-02-08 US disclosed
US-20210061816-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. (US) 2021-03-04 US disclosed
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2020-07-09 US disclosed
US-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2019-06-06 US disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-8497278-B2 Imidazo[1,2-a]pyridine compounds SUNOVION PHARMACEUTICALS INC. (US) 2013-07-30 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US disclosed
EP-1937675-B1 BICYCLIC ARYL-SULFONIC ACID [1,3,4]-THIADIAZOL-2-YL-AMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2011-06-22 EP disclosed
EP-0643707-A1 THIADIAZOLINES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1995-03-22 EP disclosed
WO-1993024474-A1 THIADIAZOLINES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1993-12-09 WO disclosed
US-4128412-A Herbicidal composition and method using N-(2-ethylsulfonyl-1,3,4-thiadiazol-5-yl)-N-methyl-N'-methyl urea BAYER AKTIENGESELLSCHAFT (DE) 1978-12-05 US disclosed
US-4049670-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 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 (7 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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD SMN1; SMN2 593/4885ALDH1A1 269/4885RAB9A 1870/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD SMN1; SMN2 593/4885ALDH1A1 269/4885RAB9A 1870/4885
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK SMN1; SMN2 4365/4885ALDH1A1 819/4885RAB9A 3698/4885
US-20190169181-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, FOLH1 SMN1; SMN2 2066/4885ALDH1A1 608/4885RAB9A 3335/4885
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SMN1; SMN2 4747/4885ALDH1A1 1322/4885RAB9A 3176/4885
US-20210061816-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 SMN1; SMN2 4718/4885ALDH1A1 1219/4885RAB9A 3026/4885
US-11242352-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SMN1; SMN2 4718/4885ALDH1A1 1219/4885RAB9A 3026/4885

“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.