SCHEMBL3559320

SCHEMBL3559320

C[C@H](N)c1ccc(Nc2cnccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
KMT2A Q03164 3/20 0.46
ROCK2 O75116 3/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR2 O15552 1/20 0.41
ROCK1 Q13464 2/20 0.40
MAPKAPK2 P49137 1/20 0.40
KDR P35968 1/20 0.39
CIT O14578 1/20 0.38
POLB P06746 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL2789615 0.87 RAB9A (0.64) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL31220873 0.78 RAB9A (0.61) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL29806164 0.78 RAD52 (0.53) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL3550056 0.77 RAB9A (0.53) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL7872530 0.76 ROCK2 (0.44) RAB9ANPC1KMT2AROCK2KDM4E
SCHEMBL22971333 0.75 KDR (0.44) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL28324147 0.74 KMT2A (0.61) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL15145230 0.74 AURKA (0.56) RAB9ANPC1KMT2AKDM4EPOLB
SCHEMBL13043077 0.73 KDM4E (0.64) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL31343853 0.73 RAB9A (0.59) RAB9ANPC1KMT2AKDM4EALDH1A1

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-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A RAB9A 657/4885NPC1 2808/4885KMT2A 847/4885

“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.