SCHEMBL18134403

SCHEMBL18134403

Cc1nc(-c2ccccc2)ccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ASIC3 Q9UHC3 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 4/20 0.38
PKM P14618 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18134404 0.81 CYP2A6 (0.54) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL21076081 0.81 MEN1 (0.46) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL2189712 0.78 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL22275375 0.78 XDH (0.43) MEN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL18134418 0.76 PTGS2 (0.42)
SCHEMBL13299549 0.75 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL20232745 0.75 MEN1 (0.41) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL18134401 0.75 KCNH2 (0.44)
Ammonia Solution, Strong SCHEMBL28686928 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL10345268 0.73 KMT2A (0.48) ALDH1A1MEN1KMT2ARAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 US disclosed
US-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 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-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP ALDH1A1 3113/4885MEN1 3667/4885KMT2A 4294/4885

“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.