SCHEMBL18293602

SCHEMBL18293602

Cc1cccn2c(C(C)C)c(-c3ccccc3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.64
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 2/20 0.64
NPC1 O15118 2/20 0.64
HPGD P15428 2/20 0.64
RAB9A P51151 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HSD17B10 Q99714 2/20 0.64
GLA P06280 1/20 0.64
ATM Q13315 1/20 0.64
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
MAPT P10636 8/20 0.47

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
SCHEMBL18293598 0.84 AKT1 (0.47) GAAALDH1A1KDM4ENPC1HPGD
SCHEMBL18293595 0.82 GAA (0.44) GAAALDH1A1KDM4ENPC1HPGD
SCHEMBL13325912 0.81 GAA (0.71) GAAALDH1A1KDM4ENPC1HPGD
SCHEMBL18293597 0.80 NR1H3 (0.48) GAAALDH1A1KDM4ENPC1HPGD
SCHEMBL18134467 0.79 PDE10A (0.43) GAAALDH1A1KDM4ENPC1HPGD
SCHEMBL22146345 0.79 ALDH1A1 (0.47) GAAALDH1A1KDM4ENPC1HPGD
SCHEMBL28851932 0.78 GAA (0.68) GAAALDH1A1KDM4ENPC1HPGD
SCHEMBL15729877 0.78 GAA (1.00) GAAALDH1A1KDM4ENPC1HPGD
SCHEMBL4830308 0.78 GAA (0.68) GAAALDH1A1KDM4ENPC1HPGD
SCHEMBL19617992 0.78 JAK2 (0.42) GAAALDH1A1KDM4ENPC1HPGD

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-9822118-B2 Bicyclic heteroaryl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-21 US disclosed
US-20160355517-A1 BICYCLIC HETEROARYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-12-08 US disclosed
US-20160355517-A1 BICYCLIC HETEROARYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-12-08 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-20160355517-A1 BICYCLIC HETEROARYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TDP1 GAA 2111/4885ALDH1A1 3622/4885KDM4E 2839/4885

“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.