SCHEMBL15723723

SCHEMBL15723723

CC(C)n1ccc2cnc(Cl)nc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 10/20 0.37
▸ CDK5R1 Q15078 10/20 0.37
▸ CCNA2 P20248 9/20 0.37
▸ CDK2 P24941 9/20 0.37
▸ CCNA1 P78396 9/20 0.37
▸ DYRK1A Q13627 8/20 0.37
▸ CDK1 P06493 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL4187054 0.81 DHFR (0.33) —
SCHEMBL16884033 0.80 PDE10A (0.31) CDK2CDK1
SCHEMBL14236367 0.79 NPC1 (0.33) CDK5CDK5R1NPC1POLB
SCHEMBL15723693 0.79 CDK1 (0.44) CDK2CDK1
SCHEMBL22822733 0.79 HCAR3 (0.30) CDK2CDK1
SCHEMBL844838 0.76 PIK3CB (0.38) CDK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24334808 0.74 CCNA2 (0.31) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL21087796 0.74 LRRK2 (0.56) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL28235839 0.74 RPS6KA5 (0.38) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL19152607 0.74 CNR2 (0.39) CDK1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — 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 (6 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CDK5 3184/4885CDK5R1 3568/4885CCNA2 3363/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN CDK5 3184/4885CDK5R1 3568/4885CCNA2 3363/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN CDK5 3184/4885CDK5R1 3568/4885CCNA2 3363/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CDK5 3184/4885CDK5R1 3568/4885CCNA2 3363/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CDK5 3184/4885CDK5R1 3568/4885CCNA2 3363/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN CDK5 3184/4885CDK5R1 3568/4885CCNA2 3363/4885

“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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