SCHEMBL2979658

SCHEMBL2979658

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nn2cnnc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.47
TNKS2 Q9H2K2 11/20 0.45
TNKS O95271 10/20 0.45
WNT3A P56704 6/20 0.45
PARP1 P09874 6/20 0.43
PARP2 Q9UGN5 6/20 0.41
PARP14 Q460N5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
AXIN2 Q9Y2T1 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
TYMP P19971 1/20 0.39
BRD4 O60885 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL31422809 0.65 COMT (0.54) COMTTNKS2TNKSWNT3APARP1
SCHEMBL15693144 0.64 TNKS2 (0.56) COMTTNKS2TNKSWNT3APARP1
SCHEMBL2433653 0.64 COMT (1.00) COMTTNKS2TNKSWNT3APARP1
SCHEMBL11622428 0.64 KDM4E (0.50)
SCHEMBL15693143 0.64 TNKS2 (0.60) COMTTNKS2TNKSWNT3APARP1
SCHEMBL10316101 0.63 COMT (0.44) COMTTNKS2TNKSWNT3APARP1
SCHEMBL15693156 0.62 TNKS2 (0.54) COMTTNKS2TNKSWNT3APARP1
SCHEMBL11284110 0.62 TNKS (1.00) TNKS2TNKSWNT3APARP1PARP2
SCHEMBL5833712 0.62 COMT (0.65) COMTTNKS2TNKSWNT3APARP1
SCHEMBL15527656 0.61 TNKS (0.46) TNKS2TNKSWNT3APARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229392-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE AS GSK3BETA INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-22 EP disclosed
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 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-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE THPO, IL5, TPMT COMT 1517/4885TNKS2 50/4885TNKS 66/4885

“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.