SCHEMBL3339632

SCHEMBL3339632

Cc1ccc(Nc2ncc3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.55
MAP3K5 Q99683 1/20 0.55
ROCK1 Q13464 1/20 0.53
KDR P35968 2/20 0.51
CDK1 P06493 2/20 0.51
CDK2 P24941 2/20 0.50
KDM1A O60341 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
PTK2 Q05397 1/20 0.49
RAB9A P51151 4/20 0.49
AURKA O14965 1/20 0.48
PGK1 P00558 1/20 0.47
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 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
SCHEMBL167891 0.86 MAP3K5 (0.60) NPY5RMAP3K5ROCK1KDRCDK1
SCHEMBL27770482 0.86 MAP3K5 (0.60) NPY5RMAP3K5ROCK1KDRCDK1
SCHEMBL31381352 0.86 MAP3K5 (0.60) NPY5RMAP3K5ROCK1KDRCDK1
Benzene SCHEMBL28188863 0.86 MAP3K5 (0.60) NPY5RMAP3K5ROCK1KDRCDK1
SCHEMBL4573935 0.84 MAP3K5 (0.58) NPY5RMAP3K5ROCK1KDRCDK1
Hydrochloric Acid SCHEMBL8807679 0.84 MAP3K5 (0.58) NPY5RMAP3K5ROCK1KDRCDK1
SCHEMBL3338544 0.83 AURKA (0.57) MAP3K5ROCK1KDRCDK1CDK2
SCHEMBL6037487 0.83 ROCK1 (0.53) NPY5RMAP3K5ROCK1KDRCDK1
SCHEMBL27610222 0.83 ROCK1 (0.53) MAP3K5ROCK1KDRCDK1CDK2
SCHEMBL4030061 0.83 MAP3K5 (0.55) MAP3K5ROCK1KDRPTK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-8673929-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives and pharmaceutical compositions useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-03-18 US disclosed
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPY5R 4193/4885MAP3K5 2079/4885ROCK1 258/4885
US-20100143299-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING VIRAL INFECTIONS OPRD1, IFNAR1, NR4A1 NPY5R 146/4885MAP3K5 3016/4885ROCK1 3105/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPY5R 4193/4885MAP3K5 2079/4885ROCK1 258/4885

“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.