SCHEMBL23873019

SCHEMBL23873019

CC(C)(C)c1ccc(C#N)cc1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.47
TRPV4 Q9HBA0 2/20 0.44
CYP2A6 P11509 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CSNK1D P48730 3/20 0.36
CSNK1G2 P78368 3/20 0.36
CSNK1A1 P48729 1/20 0.36
GSK3B P49841 1/20 0.36
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL16019370 0.88 TRPV4 (0.56) KIF11TRPV4ALDH1A1
SCHEMBL8225797 0.88 TRPV4 (0.56) KIF11TRPV4ALDH1A1
SCHEMBL2154684 0.84 KIF11 (0.45) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL26179236 0.84 KIF11 (0.60) KIF11CYP2A6ALDH1A1CA12CA2
SCHEMBL2153622 0.84 KIF11 (0.41) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL2153715 0.84 KIF11 (0.41) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL29397303 0.83 KIF11 (0.44) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL5368308 0.83 ALDH1A1 (0.57) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL29437966 0.83 ALDH1A1 (0.57) KIF11TRPV4CYP2A6ALDH1A1CYP1A2
SCHEMBL11724576 0.83 KIF11 (0.44) KIF11TRPV4CYP2A6ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2023-11-23 US disclosed
US-11708367-B2 Compounds for the treatment of kinase-dependent disorders EXELIXIS, INC. (US) 2023-07-25 US disclosed
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-04-20 US disclosed
US-11466003-B2 Nitrogenous heterocyclic aromatic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2022-10-11 US disclosed
US-20210300916-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-09-30 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 (5 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-11708367-B2 Compounds for the treatment of kinase-dependent disorders ERBB2, ERBB3, MAP3K6 KIF11 2992/4885TRPV4 4265/4885CYP2A6 3890/4885
US-20230374024-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, ERBB3, MAP3K6 KIF11 2992/4885TRPV4 4265/4885CYP2A6 3890/4885
US-20230118751-A1 FUSED RING COMPOUND AND APPLICATION THEREOF P2RX4, P2RX3, P2RX2 KIF11 2603/4885TRPV4 9/4885CYP2A6 865/4885
US-11466003-B2 Nitrogenous heterocyclic aromatic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof NOTUM, ALKBH5, PAH KIF11 2492/4885TRPV4 2224/4885CYP2A6 288/4885
US-20210300916-A1 NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF NOTUM, ALKBH5, PAH KIF11 2492/4885TRPV4 2224/4885CYP2A6 288/4885

“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.