SCHEMBL3040658

SCHEMBL3040658

Cc1ccc(Nc2ccccn2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.52
RAB9A P51151 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
EGFR P00533 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
MAPK10 P53779 1/20 0.46
GFER P55789 1/20 0.46
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
ALOX12 P18054 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL25175479 0.85 RAB9A (0.63) KDRRAB9ANPSR1KMT2AMEN1
SCHEMBL3038077 0.81 KDR (0.59) KDRRAB9AEGFRKMT2AMEN1
SCHEMBL3038970 0.81 PIM1 (0.52) KDRRAB9AEGFRKMT2AMEN1
SCHEMBL2309841 0.81 RAB9A (0.48) KDRRAB9ANPSR1KMT2AMEN1
SCHEMBL2486834 0.77 GRM4 (0.52) RAB9ANPSR1KMT2AMEN1MAPK10
SCHEMBL30502777 0.77 CYP3A4 (0.50) KDRRAB9ANPSR1KMT2AMEN1
SCHEMBL25453078 0.77 CYP3A4 (0.50) KDRRAB9ANPSR1KMT2AMEN1
SCHEMBL3035542 0.77 KDR (0.43) KDRRAB9AKMT2AMEN1MAPK10
SCHEMBL7555415 0.75 HPGD (0.54) KDRNPSR1EGFRKMT2AMEN1
SCHEMBL2485887 0.75 KMT2A (0.55) RAB9ANPSR1KMT2AMEN1MAPK10

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
US-9018209-B2 Compounds and methods for the treatment of viruses and cancer YALE UNIVERSITY (US) 2015-04-28 US disclosed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer YALE UNIVERSITY (US) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP 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 1285/4885RAB9A 2465/4885NPSR1 116/4885
US-20100222352-A1 Compounds and Methods for the Treatment of Viruses and Cancer RCOR1, RCOR3, CCNT1 KDR 1458/4885RAB9A 2094/4885NPSR1 1545/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B KDR 1467/4885RAB9A 1123/4885NPSR1 2076/4885

“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.