SCHEMBL18436963

SCHEMBL18436963

Cc1nnc2c(C)cccc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
TRPA1 O75762 2/20 0.40
MEN1 O00255 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PARP1 P09874 3/20 0.37
ELANE P08246 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ATM Q13315 1/20 0.35
HTT P42858 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL30560057 1.00 ALDH1A1 (0.44) ALDH1A1CYP2A6CYP1A2TRPA1MEN1
SCHEMBL3279843 0.81 NR4A2 (0.41) ALDH1A1CYP2A6CYP1A2MEN1KMT2A
SCHEMBL10735323 0.77 KDM4E (0.44) ALDH1A1CYP2A6CYP1A2KMT2AKDM4E
SCHEMBL3282786 0.77 ADORA2A (0.43) ALDH1A1MEN1KMT2AKDM4EPARP1
SCHEMBL24507816 0.76 CYP2A6 (0.41) ALDH1A1CYP2A6CYP1A2MEN1RAD52
SCHEMBL24507813 0.76 ALDH1A1 (0.46) ALDH1A1CYP2A6CYP1A2MEN1RAD52
SCHEMBL2126377 0.74 KDM4E (0.49) ALDH1A1CYP2A6CYP1A2TRPA1MEN1
SCHEMBL18435998 0.73 KDM4E (0.40) ALDH1A1CYP2A6CYP1A2MEN1RAD52
SCHEMBL18436554 0.72 ALDH1A1 (0.44) ALDH1A1CYP2A6CYP1A2TRPA1MEN1
SCHEMBL22124938 0.71 GPR3 (0.54) ALDH1A1CYP1A2MEN1RAD52KMT2A

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
EP-4259145-A1 ALK-5 INHIBITORS AND USES THEREOF Sumitomo Pharma Oncology, Inc. (US) 2023-10-18 EP disclosed
US-11746103-B2 ALK-5 inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
US-11746103-B2 ALK-5 inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
US-11746103-B2 ALK-5 inhibitors and uses thereof SUMITOMO PHARMA ONCOLOGY, INC. (US) 2023-09-05 US disclosed
CN-116546986-A ALK-5 inhibitors and uses thereof 住友制药肿瘤公司 2023-08-04 CN disclosed
US-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF SUMITOMO PHARMA ONCOLOGY, INC. 2022-10-06 US disclosed
US-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF SUMITOMO PHARMA ONCOLOGY, INC. 2022-10-06 US disclosed
WO-2022126133-A1 ALK-5 INHIBITORS AND USES THEREOF SUMITOMO PHARMA ONCOLOGY,INC. (US) 2022-06-16 WO disclosed
WO-2022126133-A1 ALK-5 INHIBITORS AND USES THEREOF SUMITOMO PHARMA ONCOLOGY,INC. (US) 2022-06-16 WO disclosed
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 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 (3 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-20220315563-A1 ALK-5 INHIBITORS AND USES THEREOF ACVR1, ALK, ACVRL1 ALDH1A1 773/4885CYP2A6 1849/4885CYP1A2 1810/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH ALDH1A1 892/4885CYP2A6 3189/4885CYP1A2 2991/4885
US-11746103-B2 ALK-5 inhibitors and uses thereof ACVR1, ALK, ACVRL1 ALDH1A1 773/4885CYP2A6 1849/4885CYP1A2 1810/4885

“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.