SCHEMBL3608660

SCHEMBL3608660

CC(C)C(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.32
CRHR1 P34998 1/20 0.32
ENPP1 P22413 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
SCHEMBL29783525 1.00 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL79687 1.00 MAPK1 (0.37) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL23925410 0.91 ALDH1A1 (0.34) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL23925412 0.91 ALDH1A1 (0.34) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL975954 0.91 MAPK1 (0.38) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL977522 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL22637997 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL80486 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL3117730 0.89 MAPK1 (0.35) MAPK1KMT2AMEN1GAAALDH1A1
SCHEMBL23944197 0.88 EGLN2 (0.40) KMT2AMEN1GAAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US claimed
WO-2007101547-A2 SYNERGISTIC COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AG (DE) 2007-09-13 WO claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP claimed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP claimed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 WO claimed
EP-2170041-B2 ACTIVE INGREDIENT SUSPENSIONS IN GLYCERINE BAYER CROPSCIENCE AG (DE) 2020-12-23 EP disclosed
US-20190150445-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-05-23 US disclosed
EP-1802197-B1 FUNGICIDAL COMBINATIONS OF ACTIVE INGREDIENTS BAYER IP GMBH (DE) 2018-02-28 EP disclosed
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations WACHENDORFF-NEUMANN ULRIKE (DE) 2013-10-17 US disclosed
US-20100160311-A1 Fungicidal Azolopyrimidines, Process for Their Preparation and Their Use For Controlling Harmful Fungi, and Also Compositions Comprising Them BASF SE (DE) 2010-06-24 US disclosed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP disclosed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO disclosed
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US disclosed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP disclosed
US-6117876-A Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 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 (4 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-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents TUBB3, TUBA1C, TUBB1 MAPK1 916/4885KMT2A 2012/4885MEN1 2807/4885
US-20100160311-A1 Fungicidal Azolopyrimidines, Process for Their Preparation and Their Use For Controlling Harmful Fungi, and Also Compositions Comprising Them G6PD, CYP51A1, ERG28 MAPK1 1710/4885KMT2A 2490/4885MEN1 1379/4885
US-20130274099-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 MAPK1 3681/4885KMT2A 1733/4885MEN1 2134/4885
US-20190150445-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS ACOT7, AGPAT5, TST MAPK1 4011/4885KMT2A 880/4885MEN1 4422/4885

“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.