SCHEMBL3713355

SCHEMBL3713355

Fc1ccc(-c2c(Cl)nc3nc(C4CC4)nn3c2Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
PRKAA2 P54646 1/20 0.33
AKT1 P31749 4/20 0.33
AKT2 P31751 4/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
MAPK14 Q16539 1/20 0.32
PDE4D Q08499 3/20 0.31
AOC3 Q16853 1/20 0.31

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
SCHEMBL10279750 0.86 PDE4D (0.42) AKT1AKT2PDE4D
SCHEMBL3705440 0.74 AKT1 (0.47) HTR2AHTR2CHTR2BPRKAA2AKT1
SCHEMBL5439370 0.73 PDE10A (0.31)
SCHEMBL5447381 0.72 IDH1 (0.35) HTR2AHTR2CHTR2B
SCHEMBL5447564 0.72 MEN1 (0.30)
SCHEMBL14430549 0.72 TRPV1 (0.36)
SCHEMBL8131234 0.71 ALDH1A1 (0.48) KDM4EALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL363046 0.65 ALDH1A1 (0.42) KDM4EALDH1A1GLAGAARAB9A
SCHEMBL361527 0.64 MAPT (0.38) AKT1AKT2KDM4EALDH1A1NPC1
SCHEMBL3709192 0.64 L3MBTL1 (0.45) KDM4EALDH1A1GAAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 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
US-20130184273-A1 BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US 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 (2 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 HTR2A 2810/4885HTR2C 2306/4885HTR2B 2181/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS HTR2A 2635/4885HTR2C 2645/4885HTR2B 1532/4885

“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.