SCHEMBL24287892

SCHEMBL24287892

CC(C)Nc1nccc(C2CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 6/20 0.50
▸ MAPK10 P53779 6/20 0.50
▸ HRH4 Q9H3N8 4/20 0.50
▸ PDE4B Q07343 1/20 0.50
▸ PDE10A Q9Y233 1/20 0.50
▸ MAPK8 P45983 7/20 0.48
▸ IDH1 O75874 1/20 0.41
▸ SYK P43405 1/20 0.40
▸ PIM1 P11309 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ CDK7 P50613 1/20 0.38

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
SCHEMBL24042813 0.80 SYK (0.40) MAPK9SYK
SCHEMBL2852000 0.77 KDM4E (0.44) MAPK10MAPK8SYKHTR1A
SCHEMBL22256859 0.77 SYK (0.37) MAPK9MAPK10MAPK8SYKHTR1A
SCHEMBL10249073 0.73 HRH4 (0.43) HRH4PIM1PIM2PIM3
SCHEMBL1554844 0.72 RAB9A (0.52) SYK
SCHEMBL17700440 0.72 CHRNA7 (0.53) HRH4
SCHEMBL91488 0.72 HRH4 (0.50) MAPK9MAPK10HRH4MAPK8ABL1
SCHEMBL2844731 0.72 ABL1 (0.52) MAPK9MAPK10HRH4MAPK8PIM1
SCHEMBL14871556 0.71 CDK2 (0.57) SYKPIM1ABL1
SCHEMBL27109892 0.71 CTSK (0.59) MAPK9MAPK10HRH4MAPK8PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2022-03-17 — — 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 (1 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-20220079928-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST AND PREPARATION METHOD THEREFOR LPAR1, LPAR2, LPAR4 MAPK9 1342/4885MAPK10 641/4885HRH4 444/4885

“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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