SCHEMBL86615

SCHEMBL86615

Cc1ccncc1C(=O)NC1=Nc2ccccc2C2=NCCN12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.38
PTAFR P25105 4/20 0.37
SMYD3 Q9H7B4 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
SIRT3 Q9NTG7 1/20 0.36
ACKR3 P25106 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DNMT1 P26358 1/20 0.35
RAD52 P43351 1/20 0.35
UHRF1 Q96T88 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HDAC8 Q9BY41 1/20 0.34
GSK3A P49840 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL87019 0.83 HTT (0.43) TYK2PTAFRTDP1HTTSMN1; SMN2
SCHEMBL86609 0.83 P2RX7 (0.42) PTAFRACKR3SMN1; SMN2DNMT1RAD52
SCHEMBL82510 0.83 HDAC1 (0.45) PTAFRHTTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL87060 0.82 POLB (0.40) TYK2ACKR3SMN1; SMN2KMT2APOLB
Hydrochloric Acid SCHEMBL80801 0.82 HDAC1 (0.44) PTAFRHTTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL86883 0.82 ALDH1A1 (0.47) HTTSMN1; SMN2HDAC8KMT2APOLB
SCHEMBL86891 0.81 PTPN11 (0.36) PTAFRDNMT1RAD52UHRF1
SCHEMBL86961 0.81 NPC1 (0.39) PTAFRSMN1; SMN2DNMT1RAD52UHRF1
SCHEMBL86740 0.81 KMT2A (0.38) PTAFRTDP1SMN1; SMN2DNMT1RAD52
SCHEMBL86897 0.81 DNMT1 (0.42) PTAFRDNMT1RAD52UHRF1HDAC8

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
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 EP 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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 TYK2 264/4885PTAFR 119/4885SMYD3 4281/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 TYK2 312/4885PTAFR 1757/4885SMYD3 3202/4885

“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.