SCHEMBL21078498

SCHEMBL21078498

Cc1nn(C)c2[nH]c(=O)cc(C(C)C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ CHEK1 O14757 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ RET P07949 1/20 0.44
▸ MET P08581 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ GRK5 P34947 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CDK7 P50613 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ NEK2 P51955 1/20 0.44
▸ LIMK1 P53667 1/20 0.44

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
SCHEMBL12074207 0.74 KDM4E (0.48) KDM4EPARP1ALDH1A1HSD17B10HPGD
SCHEMBL12074205 0.69 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10HPGDPKM
SCHEMBL6845090 0.68 KDM4E (0.58) KDM4EPARP1ALDH1A1HSD17B10HPGD
SCHEMBL2193298 0.66 PARP1 (0.54) KDM4EPDGFRACSNK1A1CDK8CDK5
SCHEMBL12072817 0.65 S1PR2 (0.46) KDM4EALDH1A1MEN1S1PR2MAPT
SCHEMBL1719969 0.64 PARP1 (0.53) KDM4EPARP1HSD17B10HPGD
SCHEMBL12073695 0.64 S1PR2 (0.46) KDM4EALDH1A1MEN1S1PR2MAPT
SCHEMBL15295901 0.64 S1PR2 (0.48) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL25976835 0.62 PDE10A (0.35) MEN1S1PR2MAPTGLP1RKMT2A
SCHEMBL1695316 0.62 HSD17B10 (0.40) KDM4EALDH1A1HSD17B10HPGDPKM

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
US-10858358-B2 S1PR2 antagonists and uses therefor DALHOUSIE UNIVERSITY (CA) 2020-12-08 — — US disclosed
US-10487082-B2 S1PR2 antagonists and uses therefor DALHOUSIE UNIVERSITY (CA) 2019-11-26 — — US disclosed
US-20190169187-A1 S1PR2 ANTAGONISTS AND USES THEREFOR DALHOUSIE UNIVERSITY (CA) 2019-06-06 — — 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 (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-10858358-B2 S1PR2 antagonists and uses therefor S1PR2, S1PR4, S1PR1 KDM4E 1437/4885CHEK1 4001/4885AURKA 4070/4885
US-20190169187-A1 S1PR2 ANTAGONISTS AND USES THEREFOR S1PR2, S1PR4, S1PR3 KDM4E 2726/4885CHEK1 4169/4885AURKA 3291/4885
US-10487082-B2 S1PR2 antagonists and uses therefor S1PR2, S1PR4, S1PR3 KDM4E 2726/4885CHEK1 4169/4885AURKA 3291/4885

“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.

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