SCHEMBL13680418

SCHEMBL13680418

Cc1cccnc1Oc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
TRPA1 O75762 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8467578 0.85 KMT2A (0.63) KMT2AMEN1SMN1; SMN2LMNAKDM4E
SCHEMBL3660640 0.83 TDP1 (0.54) KMT2AMEN1CYP1A2CYP2C19CYP2C9
SCHEMBL20406301 0.83 AHR (0.46) KMT2AMEN1ALDH1A1
SCHEMBL2460533 0.82 KMT2A (0.56) KMT2AMEN1CYP3A4SMN1; SMN2NPSR1
SCHEMBL9910945 0.82 RAB9A (0.56) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL17624260 0.81 MRGPRX1 (0.49) KMT2AMEN1CYP1A2CYP2C19KDM4E
SCHEMBL22061929 0.81 KMT2A (0.45) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL29716346 0.81 KMT2A (0.45) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL6995594 0.79 KMT2A (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL15074670 0.79 HTR1A (0.54) KMT2AMEN1TRPA1KDM4EMRGPRX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-9090619-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 US disclosed
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 US disclosed
US-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 US disclosed
US-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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 (10 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-20150031722-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885CYP1A2 2537/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885CYP1A2 2537/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885CYP1A2 2537/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 KMT2A 4359/4885MEN1 3122/4885CYP1A2 1677/4885
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885CYP1A2 2537/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 KMT2A 2425/4885MEN1 2956/4885CYP1A2 2162/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885CYP1A2 2537/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885CYP1A2 2537/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885CYP1A2 2537/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 KMT2A 4546/4885MEN1 4778/4885CYP1A2 3682/4885

“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.