SCHEMBL16967950

SCHEMBL16967950

CNc1ncccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 6/20 0.35
▸ LIPG Q9Y5X9 6/20 0.35
▸ EGFR P00533 2/20 0.33
▸ LIPE Q05469 5/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CXCR2 P25025 2/20 0.31
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL22574535 0.83 LPL (0.37) LPLLIPGEGFRLIPEKDM4E
SCHEMBL31441746 0.83 LRRK2 (0.33) LPLLIPGEGFRLIPEKDM4E
SCHEMBL22585908 0.81 DHODH (0.44) LPLLIPGEGFRNPC1RAB9A
SCHEMBL18342440 0.80 MEN1 (0.38) LIPEKDM4ENPC1RAB9ACXCR2
SCHEMBL14564295 0.80 EGFR (0.34) LPLLIPGEGFRCXCR2
SCHEMBL26674783 0.80 PDE10A (0.37) KDM4E
SCHEMBL12077065 0.80 RAB9A (0.40) LIPEKDM4ENPC1RAB9ACXCR2
SCHEMBL30641310 0.78 LIPE (0.36) LIPECXCR2
SCHEMBL26674609 0.78 LIPE (0.36) LIPECXCR2
SCHEMBL31441577 0.78 LRRK2 (0.39) KDM4E

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-9328112-B2 Tetracyclic CDK9 kinase inhibitors ABBVIE INC. (US) 2016-05-03 — — US disclosed
WO-2015119712-A1 TETRACYCLIC CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2015-08-13 — — WO disclosed
US-20150218165-A1 TETRACYCLIC CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2015-08-06 — — 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 (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-20150218165-A1 TETRACYCLIC CDK9 KINASE INHIBITORS CDK9, CDK19, CDK1 LPL 4491/4885LIPG 4067/4885EGFR 542/4885

“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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