SCHEMBL18763519

SCHEMBL18763519

Nc1ccc(C#Cc2ccc(OCCCN3CCOCC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.65
MAPK1 P28482 2/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
HTR2A P28223 1/20 0.65
SCN1A P35498 1/20 0.65
HTR2B P41595 1/20 0.65
KCNH2 Q12809 1/20 0.65
SCN2A Q99250 1/20 0.65
SIGMAR1 Q99720 1/20 0.65
SCN3A Q9NY46 1/20 0.65
HRH2 P25021 1/20 0.64
HRH1 P35367 1/20 0.64
USP2 O75604 1/20 0.63
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51

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
SCHEMBL18763470 0.93 CA12 (0.59) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL374569 0.93 HRH3 (0.74) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL14724514 0.89 HRH3 (0.71) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL28126773 0.88 HRH3 (0.68) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL18763426 0.88 HRH3 (0.51) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL18763500 0.88 ALDH1A1 (0.54) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL16314572 0.87 ALDH1A1 (0.66) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL374497 0.85 LTA4H (0.67) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL18763481 0.85 HRH3 (0.47) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL18763421 0.84 RAB9A (0.58) HRH3ALDH1A1USP2

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
EP-3169671-B1 1-(5-(TERT.-BUTYL)ISOXAZOL-3-YL)-3-(4-((PHENYL)ETHYNYL)PHENYL)UREA DERIVATIVES AND RELATED COMPOUNDS AS FLT3 INHIBITORS FOR TREATING CANCER SUNSHINE LAKE PHARMA CO LTD (CN) 2019-08-21 EP disclosed
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-09-04 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 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 (2 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-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF ULK2, ULK3, ULK1 HRH3 3059/4885MAPK1 351/4885ALDH1A1 2900/4885
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof ULK2, ULK3, ULK1 HRH3 3059/4885MAPK1 351/4885ALDH1A1 2900/4885

“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.