SCHEMBL363046

SCHEMBL363046

Fc1ccc(-c2c(Cl)nc3nccn3c2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ADORA2A P29274 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CSNK1E P49674 3/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HASPIN Q8TF76 1/20 0.34
GRIA1 P42261 2/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL361737 0.84 KDM4E (0.44) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL5593404 0.80 EGLN2 (0.42) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL1478123 0.79 KDM4E (0.36) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL5247989 0.79 RAB9A (0.42) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL3707772 0.77 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL5249517 0.75 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL20742619 0.74 ADORA2A (0.33) KDM4ERAB9AADORA2ACSNK1ECCNA2
SCHEMBL3702960 0.73 GRIA1 (0.38) ALDH1A1RAB9AADORA2AGPBAR1POLB
SCHEMBL8131234 0.73 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EGAARAB9A
SCHEMBL20742200 0.72 CSNK1E (0.34) ADORA2ACSNK1ECCNA2CDK2CDK5

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 10 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
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
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 ALDH1A1 1872/4885SMN1; SMN2 2933/4885KDM4E 2817/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS ALDH1A1 3442/4885SMN1; SMN2 1998/4885KDM4E 3716/4885

“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.