SCHEMBL18763402

SCHEMBL18763402

CN1CCN(CCCOc2ccc(I)cc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.56
CTSK P43235 5/20 0.56
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NTRK1 P04629 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
DRD2 P14416 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
NR1H2 P55055 1/20 0.40
ABCB1 P08183 1/20 0.40
UTS2R Q9UKP6 1/20 0.40

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
SCHEMBL28407170 0.90 CTSS (0.49) CTSSCTSKMEN1KMT2AHRH3
SCHEMBL18763411 0.86 KDM4E (0.52) CTSSCTSKHRH3ALDH1A1USP2
SCHEMBL4520307 0.83 CYP1A2 (0.51) CTSSCTSKALDH1A1DRD2HTR2A
SCHEMBL18763502 0.80 HTR2A (0.50) ALDH1A1DRD2HTR2AUTS2R
SCHEMBL18763424 0.78 CTSS (0.52) CTSSCTSKMEN1KMT2ANTRK1
SCHEMBL21276694 0.76 CTSS (0.51) CTSSCTSKMEN1KMT2ANTRK1
SCHEMBL18763447 0.76 S1PR1 (0.38) CTSSCTSKDRD2
SCHEMBL13664844 0.75 S1PR1 (0.55) CTSSCTSK
SCHEMBL28864320 0.74 NR1H2 (0.70) KMT2AALDH1A1NR1H2
SCHEMBL18763400 0.74 CTSS (0.49) CTSSCTSKKMT2AHRH3ALDH1A1

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 CTSS 2058/4885CTSK 1004/4885MEN1 3309/4885
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof ULK2, ULK3, ULK1 CTSS 2058/4885CTSK 1004/4885MEN1 3309/4885

“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.