SCHEMBL16181574

SCHEMBL16181574

CNc1cc(C)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 7/20 0.48
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ACHE P22303 2/20 0.37
THRB P10828 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
EGFR P00533 1/20 0.32
FGFR1 P11362 1/20 0.32
MEN1 O00255 1/20 0.32
CRHBP P24387 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
SCHEMBL5506973 0.84 RAPGEF4 (0.39) RAPGEF4
SCHEMBL463544 0.84 RAPGEF4 (0.44) RAPGEF4HDAC3HDAC1HDAC2HDAC6
SCHEMBL1360610 0.81 RAPGEF4 (0.48) RAPGEF4ACHETHRBNOS3NOS2
SCHEMBL13198271 0.81 RAPGEF4 (0.42) RAPGEF4THRBNOS3NOS2CYP1A2
SCHEMBL31275093 0.80 RAPGEF4 (0.48) RAPGEF4HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL2861495 0.78 RAPGEF4 (0.46) RAPGEF4THRBNOS3NOS2CYP1A2
SCHEMBL18593306 0.78 RAPGEF4 (0.47) RAPGEF4HDAC3HDAC1HDAC2HDAC6
SCHEMBL27762665 0.78 RAPGEF4 (0.42) RAPGEF4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12136032 0.75 RAPGEF4 (0.44) RAPGEF4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12369336 0.75 RAPGEF4 (0.44) RAPGEF4HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912682-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230348418-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2023-11-02 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
WO-2021254417-A1 BICYCLIC COMPOUND AND APPLICATION THEREOF 贝达药业股份有限公司 2021-12-23 WO disclosed
WO-2020186196-A1 TRISUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINE COMPOUNDS AS CDK7 INHIBITORS THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2020-09-17 WO disclosed
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 WO disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-8865708-B2 Methods and compositions for inhibition of the transitional endoplasmic reticulum ATPase CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-21 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 (8 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-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 RAPGEF4 4132/4885HDAC3 1711/4885HDAC1 2265/4885
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 CDK7, CDK8, CDKL4 RAPGEF4 1854/4885HDAC3 246/4885HDAC1 175/4885
US-20230348418-A1 ISOINDOLINONE COMPOUNDS CYP4F2, AOC2, AOC3 RAPGEF4 3229/4885HDAC3 331/4885HDAC1 1285/4885
US-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H RAPGEF4 3291/4885HDAC3 2376/4885HDAC1 488/4885
US-11912682-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 RAPGEF4 3261/4885HDAC3 307/4885HDAC1 1168/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H RAPGEF4 3291/4885HDAC3 2376/4885HDAC1 488/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RAPGEF4 4132/4885HDAC3 1711/4885HDAC1 2265/4885
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E RAPGEF4 3487/4885HDAC3 2880/4885HDAC1 899/4885

“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.