SCHEMBL21363718

SCHEMBL21363718

Cc1ccc2cnc(Cc3ccc4ccncc4c3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
TBXAS1 P24557 1/20 0.41
PDE10A Q9Y233 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPT P10636 2/20 0.37
IMPDH2 P12268 2/20 0.36
NOTUM Q6P988 1/20 0.36
AKT1 P31749 1/20 0.35
MELK Q14680 2/20 0.35
F9 P00740 1/20 0.35
ROCK1 Q13464 1/20 0.35
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
PRKCZ Q05513 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL22685142 0.96 PDE10A (0.42) CYP19A1TBXAS1PDE10ACYP1A2CYP2A6
SCHEMBL21363719 0.85 CYP2A6 (0.50) PDE10ACYP1A2CYP2A6
SCHEMBL21636294 0.78 PDE10A (0.43) CYP19A1TBXAS1PDE10ACYP1A2MELK
SCHEMBL18772842 0.78 KLKB1 (0.41) CYP19A1TBXAS1PDE10AMAPTMELK
SCHEMBL761399 0.77 CYP2A6 (0.56) CYP19A1TBXAS1CYP1A2CYP2A6IMPDH2
SCHEMBL30824503 0.77 CYP2A6 (0.56) CYP19A1TBXAS1CYP1A2CYP2A6IMPDH2
SCHEMBL23396667 0.77 CYP1A2 (0.47) PDE10ACYP1A2CYP2A6
SCHEMBL23396668 0.76 PDE10A (0.43) CYP19A1PDE10AIMPDH2NOTUMAKT1
SCHEMBL18571835 0.75 PDE10A (0.42) CYP19A1PDE10AMAPTIMPDH2NOTUM
SCHEMBL28298891 0.75 CYP19A1 (0.48) CYP19A1TBXAS1PDE10AIMPDH2MELK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof ACCRO BIOSCIENCE INC. (KY) 2020-10-27 US disclosed
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
US-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-10-22 US disclosed
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (HK) 2019-09-19 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 (4 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-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof WNT1, WNT3A, CTNNB1 CYP19A1 1684/4885TBXAS1 1031/4885PDE10A 2312/4885
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 CYP19A1 1684/4885TBXAS1 1031/4885PDE10A 2312/4885
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof LITAF, BAX, TNF CYP19A1 1980/4885TBXAS1 1156/4885PDE10A 3389/4885
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF LITAF, BAX, TNF CYP19A1 1980/4885TBXAS1 1156/4885PDE10A 3389/4885

“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.