SCHEMBL22652124

SCHEMBL22652124

CC(C)c1ncc2ccc(=O)[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
PIK3CG P48736 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL31474510 0.81 MAPK8 (0.39) MAPK8MAPK9MAPK10PDE3BPDE3A
SCHEMBL30099901 0.80 MAPK8 (0.38) MAPK8MAPK9MAPK10PDE3BPDE3A
SCHEMBL17910166 0.77 MAPK8 (0.54) MAPK8MAPK9MAPK10PDE3BPDE3A
SCHEMBL3334033 0.77 PDE3B (0.44) MAPK8MAPK9MAPK10PDE3BPDE3A
SCHEMBL21909888 0.76 PDE3B (0.42) MAPK8MAPK9MAPK10PDE3BPDE3A
SCHEMBL16416249 0.74 MAPK8 (0.48) MAPK8MAPK9MAPK10PDE3BPDE3A
SCHEMBL25978145 0.73 USP1 (0.49)
SCHEMBL11472740 0.73 PDE3B (0.41) MAPK8MAPK9MAPK10PDE3BPDE3A
SCHEMBL12120683 0.73 AXL (0.38) MAPK8PIK3CGMAPK1CDK2CDK7
SCHEMBL1983844 0.73 ALDH1A1 (0.43) MAPK8MAPK9MAPK10PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4055015-B1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2025-04-02 EP claimed
US-10968234-B2 Compound containing tricyclic heteroaryl group HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2021-04-06 US disclosed
US-20200354376-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2020-11-12 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 (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-10968234-B2 Compound containing tricyclic heteroaryl group JAK3, ERBB3, CDK3 MAPK8 393/4885MAPK9 349/4885MAPK10 386/4885
US-20200354376-A1 COMPOUND CONTAINING TRICYCLIC HETEROARYL GROUP JAK3, ERBB3, CDK3 MAPK8 393/4885MAPK9 349/4885MAPK10 386/4885

“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.