SCHEMBL1763181

SCHEMBL1763181

N#C/C(=C\c1cccc(Cl)c1)c1ccc(Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
KIF20A O95235 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 3/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 2/20 0.41
FBP1 P09467 1/20 0.40

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
SCHEMBL1763184 1.00 MAPT (0.53) MAPTKIF20AALDH1A1KDM4EPOLB
SCHEMBL13485336 0.85 KIF20A (0.58) MAPTKIF20AALDH1A1KDM4EPOLB
SCHEMBL364137 0.83 MAPT (0.58) MAPTKIF20AALDH1A1KDM4EPOLB
SCHEMBL364138 0.83 MAPT (0.58) MAPTKIF20AALDH1A1KDM4EPOLB
SCHEMBL1762739 0.81 MAPT (0.80) MAPTKIF20AALDH1A1KDM4EPOLB
SCHEMBL1762741 0.81 MAPT (0.80) MAPTKIF20AALDH1A1KDM4EPOLB
SCHEMBL8519245 0.80 ESR1 (0.63) MAPTKIF20AALDH1A1KDM4EPOLB
SCHEMBL6866609 0.79 FBP1 (0.43) MAPTALDH1A1KDM4EPOLBKMT2A
SCHEMBL8401347 0.78 KIF20A (0.51) MAPTKIF20AALDH1A1KDM4EPOLB
SCHEMBL8401348 0.78 KIF20A (0.51) MAPTKIF20AALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501691-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-09-26 EP disclosed
WO-2011061139-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-26 WO disclosed
US-20110118283-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2011-05-19 US disclosed
US-20110118283-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2011-05-19 US disclosed
US-20110118283-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2011-05-19 US 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-20110118283-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CPS1, PRMT3 MAPT 4373/4885KIF20A 3146/4885ALDH1A1 863/4885

“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.