SCHEMBL10246310

SCHEMBL10246310

CNc1ccc(-n2cnnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP1A2 P05177 2/20 0.52
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 1/20 0.45
QPCT Q16769 1/20 0.41
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.37
PTK2 Q05397 1/20 0.37
APP P05067 2/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.34
RECQL P46063 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 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
SCHEMBL28002115 0.80 CYP1A2 (0.64) CYP2C9CYP1A2RXFP1LMNAQPCT
SCHEMBL7798192 0.77 CYP2C9 (0.47) CYP2C9CYP1A2RXFP1LMNAQPCT
SCHEMBL10574531 0.77 MAPT (0.60) CYP2C9CYP1A2LMNAKMT2ATSHR
Hydrochloric Acid SCHEMBL7804884 0.76 CYP2C9 (0.45) CYP2C9CYP1A2RXFP1LMNAQPCT
Hydrochloric Acid SCHEMBL7917783 0.76 CYP2C9 (0.45) CYP2C9CYP1A2RXFP1LMNAQPCT
SCHEMBL12345573 0.74 KDM4E (0.50) CYP1A2LMNAKMT2ATSHRAPP
SCHEMBL7808697 0.74 ALDH1A1 (0.54) CYP2C9CYP1A2RXFP1LMNAQPCT
SCHEMBL6518759 0.73 CYP2C9 (0.58) CYP2C9CYP1A2RXFP1LMNAQPCT
SCHEMBL22478364 0.72 LMNA (0.45) CYP2C9CYP1A2RXFP1LMNAQPCT
SCHEMBL12616637 0.71 NOTUM (0.58) RXFP1LMNAKMT2ATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
US-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof PROGENICS PHARMACEUTICALS, INC. (US) 2012-01-12 US disclosed
WO-2009091388-A2 TRIAZINES AND RELATED COMPOUNDS HAVING ANTIVIRAL ACTIVITY, COMPOSITIONS AND METHODS THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2009-07-23 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-20120009151-A1 Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof HAVCR2, ZC3HAV1, MAVS CYP2C9 1166/4885CYP1A2 412/4885RXFP1 4672/4885

“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.