SCHEMBL18100998

SCHEMBL18100998

COCc1cc2c(C(C)C)cccc2cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ PDE10A Q9Y233 4/20 0.33
▸ ATM Q13315 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ATR Q13535 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ RXRA P19793 1/20 0.32

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
SCHEMBL18103467 0.80 CYP1A2 (0.41) MAPTPDE10ACYP1A2PIK3CDPIK3CA
SCHEMBL11371036 0.79 PDE10A (0.44) KMT2AMAPTPDE10ACYP1A2CYP3A4
SCHEMBL18101003 0.75 NOTUM (0.35) MAPTATMATRRXRAGRIN1
SCHEMBL18100990 0.75 MAPT (0.33) MAPTATMATR
SCHEMBL10263302 0.74 CYP1A2 (0.50) CYP1A2CYP3A4LMNAGABRA1GABRG2
SCHEMBL10199465 0.74 LMNA (0.38) CYP1A2CYP3A4LMNAGABRA1GABRG2
SCHEMBL18100997 0.74 S1PR4 (0.36) MEN1KMT2AMAPTATMATR
SCHEMBL3155176 0.74 CYP1A2 (0.48) MEN1KMT2AMAPTPDE10AATM
SCHEMBL18100986 0.74 HTR2C (0.40) CYP1A2LMNAGABRA1GABRG2GABRB3
SCHEMBL11365421 0.73 ALDH1A1 (0.44) MEN1KMT2AMAPTPDE10AL3MBTL1

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-9546156-B2 N-bicyclic aryl,N'-pyrazolyl urea, thiourea, guanidine cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-01-17 — — US disclosed
US-20160280681-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 — — 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-20160280681-A1 N-BICYCLIC ARYL,N'-PYRAZOLYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, TNNI3K, CHUK MEN1 4170/4885KMT2A 4134/4885MAPT 684/4885

“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.

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