SCHEMBL18136532

SCHEMBL18136532

Cc1ccc2nc(-c3ccccc3)c(C)n2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.59
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 1/20 0.55
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
AKT1 P31749 1/20 0.52
AKT2 P31751 1/20 0.52
TP53 P04637 2/20 0.51
PKM P14618 1/20 0.50
CDK5 Q00535 1/20 0.50
KMT2A Q03164 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL13177316 0.89 TP53 (0.62) NR1H4KDM4EALDH1A1HPGDNPC1
Dimethylamine SCHEMBL5629018 0.85 TP53 (0.61) NR1H4KDM4EALDH1A1HPGDNPC1
SCHEMBL12128935 0.83 CYP1A2 (0.59) NR1H4KDM4EALDH1A1HPGDNPC1
SCHEMBL6526380 0.83 MAPT (0.63) NR1H4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15730474 0.83 NR1H4 (0.57) NR1H4KDM4EALDH1A1HPGDNPC1
SCHEMBL13325766 0.82 AKT1 (0.69) NR1H4KDM4EALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL18128846 0.82 NR1H4 (0.56) NR1H4KDM4EALDH1A1HPGDNPC1
SCHEMBL18134465 0.81 NR1H4 (0.54) NR1H4KDM4EALDH1A1HPGDNPC1
SCHEMBL32688225 0.81 HPGD (0.55) NR1H4KDM4EALDH1A1HPGDNPC1
SCHEMBL2680883 0.80 HPGD (0.54) NR1H4KDM4EALDH1A1HPGDNPC1

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-9790178-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-20160297758-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-20160297758-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP NR1H4 4088/4885KDM4E 2682/4885ALDH1A1 3101/4885

“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.