SCHEMBL1012446

SCHEMBL1012446

Nc1cc(C2(C(F)(F)F)CC2)nn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 8/20 0.52
KCNJ5 P48544 8/20 0.52
KCNJ3 P48549 8/20 0.52
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
MAPT P10636 1/20 0.41
STAT1 P42224 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL16692907 0.89 CYP1A2 (0.45) KCNJ6KCNJ5KCNJ3CYP1A2MAPK1
SCHEMBL31391186 0.87 NPC1 (0.45) KCNJ6KCNJ5KCNJ3CYP1A2CYP2C19
SCHEMBL1012611 0.86 NPC1 (0.49) KCNJ6KCNJ5KCNJ3CYP1A2MAPK1
SCHEMBL13528626 0.79 KCNJ6 (0.37) KCNJ6KCNJ5KCNJ3CYP1A2MAPK1
SCHEMBL18693896 0.77 CYP1A2 (0.56) KCNJ6KCNJ5KCNJ3CYP1A2MAPK1
SCHEMBL29397706 0.77 KCNJ6 (0.70) KCNJ6KCNJ5KCNJ3ALDH1A1BRAF
SCHEMBL25286218 0.76 KCNJ6 (0.72) KCNJ6KCNJ5KCNJ3ALDH1A1BRAF
SCHEMBL18717604 0.75 CYP1A2 (0.53) KCNJ6KCNJ5KCNJ3CYP1A2MAPK1
SCHEMBL370549 0.73 MAPK13 (0.56) KCNJ6KCNJ5KCNJ3CYP1A2MAPK1
SCHEMBL31233456 0.73 SIGMAR1 (0.33) KCNJ6KCNJ5KCNJ3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067411-A1 NEK7 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-04-03 WO disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230089368-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES S.A.S. (FR) 2023-03-23 US disclosed
EP-4029501-A1 COMBINATION OF POLYAROMATIC UREA DERIVATIVES AND GLUCOCORTICOID OR HDAC INHIBITOR FOR THE TREATMENT OF DISEASES OR CONDITIONS ASSOCIATED WITH MUSCLE CELLS AND/OR SATELLITE CELLS Anagenesis Biotechnologies (FR) 2022-07-20 EP disclosed
EP-3999057-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES ANAGENESIS BIOTECHNOLOGIES SAS (FR) 2022-05-25 EP disclosed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2268623-B9 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2018-02-28 EP disclosed
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2017-10-19 US disclosed
EP-2947072-A1 1-(3-(6,7-DIMETHOXYQUINAZOLIN-4-YLOXY)PHENYL)-3-(5-(1,1,1-TRIFLUORO-2-METHYLPROPAN-2-YL)ISOXAZOL-3-YL)UREA AS RAF KINASE MODULATOR IN THE TREATMENT OF CANCER DISEASES Ambit Biosciences Corporation (US) 2015-11-25 EP disclosed
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-09-03 US disclosed
EP-2268623-B1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2015-05-06 EP disclosed
US-8969587-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-03-03 US disclosed
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2014-02-13 US disclosed
US-8618289-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-12-31 US disclosed
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2011-05-19 US disclosed
CN-102026985-A Quinazoline derivatives as RAF kinase modulators and methods and uses thereof AMBIT BIOSCIENCES CORPORATON 2011-04-20 CN disclosed
EP-2268623-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2011-01-05 EP disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 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 (7 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF KCNJ6 3222/4885KCNJ5 3385/4885KCNJ3 2822/4885
US-20110118245-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KCNJ6 2436/4885KCNJ5 2754/4885KCNJ3 2424/4885
US-20170298029-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KCNJ6 3222/4885KCNJ5 3385/4885KCNJ3 2822/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 KCNJ6 2508/4885KCNJ5 2792/4885KCNJ3 2397/4885
US-20230089368-A1 POLYAROMATIC UREA DERIVATIVES AND THEIR USE IN THE TREATMENT OF MUSCLE DISEASES CKMT1A; CKMT1B, TNNC1, UBQLN2 KCNJ6 4667/4885KCNJ5 4569/4885KCNJ3 4375/4885
US-20150246042-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KCNJ6 3222/4885KCNJ5 3385/4885KCNJ3 2822/4885
US-20140045868-A1 RAF KINASE MODULATOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF KCNJ6 3222/4885KCNJ5 3385/4885KCNJ3 2822/4885

“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.