SCHEMBL364249

SCHEMBL364249

Clc1nc2nc(-c3ccccn3)nn2c(Cl)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.43
AKT2 P31751 4/20 0.43
METAP1 P53582 1/20 0.43
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TP53 P04637 3/20 0.40
PKM P14618 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
GRM5 P41594 3/20 0.39
PDE10A Q9Y233 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL3702792 0.84 AKT1 (0.42) AKT1AKT2METAP1RAB9ASMN1; SMN2
SCHEMBL3702794 0.84 AKT1 (0.56) AKT1AKT2METAP1RAB9ASMN1; SMN2
SCHEMBL3704571 0.82 AKT1 (0.58) AKT1AKT2METAP1SMN1; SMN2LMNA
SCHEMBL362037 0.81 AKT1 (0.46) AKT1AKT2METAP1RAB9ASMN1; SMN2
SCHEMBL3710979 0.76 RAB9A (0.40) AKT1AKT2RAB9ASMN1; SMN2NPC1
SCHEMBL361527 0.76 MAPT (0.38) AKT1AKT2RAB9ASMN1; SMN2NPC1
SCHEMBL11031559 0.75 KDM4E (0.44) METAP1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL2964035 0.71 ALDH1A1 (0.43) HPGDLMNATP53PKMKDM4E
SCHEMBL10279750 0.70 PDE4D (0.42) AKT1AKT2CASP3SENP7SENP6
SCHEMBL868326 0.70 KDM4E (0.49) SMN1; SMN2HPGDLMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
EP-2593458-A1 BICYCLIC PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
WO-2012007416-A1 BICYCLIC PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-19 WO disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 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-20130184273-A1 BICYCLIC PYRIMIDINES PIK3CA, TYMS, PIK3CD AKT1 42/4885AKT2 24/4885METAP1 4132/4885

“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.