SCHEMBL4810488

SCHEMBL4810488

CCCCc1c(-c2c(F)cccc2F)c(Cl)nc2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 3/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ENPP1 P22413 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL6997181 0.94 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRPOLBATM
SCHEMBL4814229 0.91 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRPOLBATM
SCHEMBL4817006 0.90 ALDH1A1 (0.37) ALDH1A1KMT2ATSHRPOLBATM
SCHEMBL6991515 0.88 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRPOLBATM
SCHEMBL974128 0.88 ATM (0.40) ALDH1A1KMT2ATSHRPOLBATM
SCHEMBL6995491 0.87 ALDH1A1 (0.40) ALDH1A1KMT2ATSHRPOLBMBOAT4
SCHEMBL6997123 0.83 KDM4E (0.42) ALDH1A1KMT2ATSHRPOLBATM
SCHEMBL6998016 0.82 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRPOLBGAA
SCHEMBL6993136 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AATMMEN1TDP1
SCHEMBL5622818 0.81 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRPOLBGAA

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
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP claimed
US-20020068744-A1 Substituted-triazolopyrimidines as anticancer agents AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US claimed
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO claimed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 US disclosed
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP disclosed
EP-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP 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
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 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 (1 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 ALDH1A1 2231/4885KMT2A 2012/4885TSHR 2567/4885

“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.