SCHEMBL14134353

SCHEMBL14134353

CC(C)c1ccc2cnccc2c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ IMPDH2 P12268 4/20 0.40
▸ RPS6KA3 P51812 2/20 0.40
▸ P4HB P07237 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ EIF4A3 P38919 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ LATS1 O95835 2/20 0.34

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
SCHEMBL29987435 0.84 IMPDH2 (0.41) HTR2AHTR2CHTR2BIMPDH2RPS6KA3
SCHEMBL13171270 0.80 CDK4 (0.42) HTR2AHTR2CHTR2BIMPDH2RPS6KA3
SCHEMBL13075204 0.76 IMPDH2 (0.43) HTR2AHTR2CHTR2BIMPDH2RPS6KA3
SCHEMBL29986726 0.75 IMPDH2 (0.46) HTR2AHTR2CHTR2BIMPDH2P4HB
SCHEMBL2607319 0.74 LMNA (0.53) LMNAKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL12045006 0.73 LMNA (0.40) HTR2AHTR2CHTR2BIMPDH2RPS6KA3
SCHEMBL31345172 0.73 LMNA (0.40) HTR2AHTR2CHTR2BIMPDH2RPS6KA3
SCHEMBL29959182 0.73 LMNA (0.40) HTR2AHTR2CHTR2BIMPDH2RPS6KA3
SCHEMBL19807266 0.73 ALDH1A1 (0.44) CYP1A2CYP2C9CYP2C19EIF4A3ALDH1A1
SCHEMBL21237350 0.73 RPS6KA3 (0.44) HTR2BRPS6KA3LMNALATS1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2019-01-08 — — US disclosed
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2018-08-02 — — US disclosed
US-8865709-B2 Aminooxazole inhibitors of cyclin dependent kinases Neosome Life Sciences, LLC (US) 2014-10-21 — — US disclosed
US-20140051694-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases Neosome Life Sciences, LLC (US) 2014-02-20 — — US disclosed
US-8551992-B2 Aminooxazole inhibitors of cyclin dependent kinases Neosome Life Sciences, LLC (US) 2013-10-08 — — US disclosed
US-8546400-B2 1,3-Oxazole-4-carboxamides, 1,3-Thiazole-4-carboxamides, and 1,3-Imidazole-d-carboxamides as Inhibitors of cyclin Dependent kinases Neosome Life Sciences, LLC (US) 2013-10-01 — — US disclosed
US-20130184288-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases Neosome Life Sciences, LLC (US) 2013-07-18 — — US disclosed
US-20120302578-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases Neosome Life Sciences, LLC (US) 2012-11-29 — — 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-20130184288-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases CDK1, CCNK, CCNI HTR2A 3871/4885HTR2C 2786/4885HTR2B 3328/4885
US-20120302578-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases CDK1, CCNK, CCNI HTR2A 3871/4885HTR2C 2786/4885HTR2B 3328/4885
US-20140051694-A1 Aminooxazole Inhibitors of Cyclin Dependent Kinases CDK1, CCNK, CCNI HTR2A 3871/4885HTR2C 2786/4885HTR2B 3328/4885
US-20180215749-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 HTR2A 336/4885HTR2C 477/4885HTR2B 534/4885
US-10174017-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 HTR2A 336/4885HTR2C 477/4885HTR2B 534/4885

“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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