SCHEMBL3330892

SCHEMBL3330892

ClCCn1ccc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.76
CCND1 P24385 4/20 0.76
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
LMNA P02545 1/20 0.56
HTR6 P50406 1/20 0.53
KMT2A Q03164 1/20 0.52
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DAO P14920 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL29379265 1.00 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL30672971 0.88 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL725795 0.88 CDK4 (0.78) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL11366447 0.87 CDK4 (1.00) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL5661674 0.86 CDK4 (0.81) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL5660775 0.85 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL725812 0.85 CDK4 (0.82) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL945970 0.85 CDK4 (0.71) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL3134501 0.79 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA
SCHEMBL734246 0.79 CDK4 (0.76) CDK4CCND1HTR2AHTR2CLMNA

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 US disclosed
CN-111132973-A Substituted 3-heteroaryloxy-1H-pyrazoles and their salts and their use as herbicidal active substances 拜耳作物科学股份公司 2020-05-08 CN disclosed
CN-110891941-A Substituted 5- (hetero) arylpyrazolamides and their salts and their use as herbicidally active substances 拜耳作物科学股份公司 2020-03-17 CN disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2018-06-14 US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 US disclosed
CN-107573275-A Cinnamamide derivative 日本脏器制药株式会社 2018-01-12 CN disclosed
EP-0854388-B1 Negative-type image recording materials FUJI PHOTO FILM CO LTD (JP) 2003-08-13 EP disclosed
US-6416939-B1 EXPOSURE, HEATING AND DEVELOPMENT FUJI PHOTO FILM CO., LTD. (JP) 2002-07-09 US disclosed
EP-1048981-A1 Negative type image recording material FUJI PHOTO FILM CO., LTD. (JP) 2000-11-02 EP disclosed
EP-0642513-B1 INDOLOCARBAZOLE IMIDES AND THEIR USE KTB TUMORFORSCHUNGSGESELLSCHAF (DE) 2000-08-09 EP disclosed
US-6068963-A CONTAINS (A) A POLYMER HAVING A HETEROCYCLIC GROUP CONTAINING AN UNSATURATED BOND THEREIN, (B) A CROSS-LINKING AGENT THAT CROSS-LINKS WITH THE AID OF AN ACID, AND (C) A COMPOUND THAT GENERATES AN ACID UPON EXPOSURE TO LIGHT OR HEAT. FUJI PHOTO FILM CO., LTD. (JP) 2000-05-30 US disclosed
US-5945440-A Indolocarbazole imides and the use thereof GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-08-31 US disclosed
US-5883114-A TREATING CANCEROUS TUMORS, INFLAMMATORY DISEASES, AND ALLERGIES GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
EP-0854388-A2 Negative-type image recording materials FUJI PHOTO FILM CO., LTD. (JP) 1998-07-22 EP disclosed
EP-0642513-A1 INDOLOCARBAZOLE IMIDES AND THEIR USE GÖDECKE AKTIENGESELLSCHAFT (DE) 1995-03-15 EP disclosed
WO-1993024491-A1 INDOLOCARBAZOLE IMIDES AND THEIR USE Gödecke Aktiengesellschaft (DE) 1993-12-09 WO 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-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CDK4 4107/4885CCND1 4775/4885HTR2A 2929/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CDK4 4107/4885CCND1 4775/4885HTR2A 2929/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CDK4 4107/4885CCND1 4775/4885HTR2A 2929/4885
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CDK4 4107/4885CCND1 4775/4885HTR2A 2929/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CDK4 4107/4885CCND1 4775/4885HTR2A 2929/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CDK4 4107/4885CCND1 4775/4885HTR2A 2929/4885

“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.