SCHEMBL3044185

SCHEMBL3044185

Cc1ccc(Nc2nccc(N)n2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.58
SCN9A Q15858 14/20 0.55
SCN5A Q14524 9/20 0.55
KCNH2 Q12809 8/20 0.55
CDK4 P11802 1/20 0.52
CDK2 P24941 1/20 0.52
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DOT1L Q8TEK3 1/20 0.46

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
SCHEMBL3044816 0.82 SCN9A (0.61) SCN9ASCN5AKCNH2DOT1L
SCHEMBL3038077 0.81 KDR (0.59) KDRCDK4CDK2KDM4EGAA
SCHEMBL3041521 0.80 KDR (0.56) KDRCDK4CDK2
SCHEMBL3051281 0.80 KDR (0.53) KDRSCN9ASCN5ACDK4CDK2
SCHEMBL15389056 0.80 SCN9A (0.57) KDRSCN9ASCN5AKCNH2KDM4E
SCHEMBL5312139 0.79 SCN9A (0.61) KDRSCN9ASCN5AKCNH2DOT1L
SCHEMBL3038065 0.77 KDR (0.58) KDRSCN9AKCNH2
SCHEMBL4484400 0.76 SYK (0.70) KDRSCN9ASCN5ACDK4CDK2
SCHEMBL23780649 0.74 SCN9A (0.72) SCN9ASCN5AKCNH2CDK4CDK2
SCHEMBL4488151 0.72 SCN9A (0.50) SCN9ASCN5AKCNH2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
WO-2007038387-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRUSES AND CANCER YALE UNIVERSITY (US) 2007-04-05 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 (3 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 KDR 1285/4885SCN9A 1230/4885SCN5A 1607/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 KDR 1458/4885SCN9A 4563/4885SCN5A 4650/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B KDR 1467/4885SCN9A 1483/4885SCN5A 739/4885

“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.