SCHEMBL17447646

SCHEMBL17447646

CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3ccc(OCCN4CCOCC4)cc3)cn2)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 14/20 0.62
KDR P35968 6/20 0.62
CSF1R P07333 3/20 0.62
PDGFRB P09619 3/20 0.62
KIT P10721 3/20 0.62
DDR1 Q08345 3/20 0.62
FLT3 P36888 8/20 0.59
AURKA O14965 2/20 0.59
LCK P06239 2/20 0.57
PDGFRA P16234 2/20 0.57
FLT4 P35916 2/20 0.57
CDK8 P49336 2/20 0.57
DDR2 Q16832 2/20 0.57
MKNK2 Q9HBH9 2/20 0.57
BMPR1B O00238 1/20 0.57
MUSK O15146 1/20 0.57
EPHB6 O15197 1/20 0.57
MAP3K7 O43318 1/20 0.57
RIPK2 O43353 1/20 0.57
PAK3 O75914 1/20 0.57

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
SCHEMBL17447576 0.96 RET (0.63) RETKDRCSF1RPDGFRBKIT
SCHEMBL17443422 0.91 RET (0.73) RETKDRCSF1RPDGFRBKIT
SCHEMBL17447653 0.88 RET (0.49) RETKDRCSF1RPDGFRBKIT
SCHEMBL17447568 0.88 RET (0.67) RETKDRCSF1RPDGFRBKIT
SCHEMBL17447645 0.88 RET (0.65) RETKDRCSF1RPDGFRBKIT
SCHEMBL17447575 0.88 RET (0.49) RETKDRCSF1RPDGFRBKIT
SCHEMBL17447571 0.88 RET (0.62) RETKDRCSF1RPDGFRBKIT
SCHEMBL17447561 0.88 RET (0.56) RETKDRCSF1RPDGFRBKIT
SCHEMBL21276787 0.87 SLC2A1 (0.55) RETKDRCSF1RPDGFRBKIT
SCHEMBL17443358 0.87 RET (0.74) RETKDRCSF1RPDGFRBKIT

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 4 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-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
WO-2016008433-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-21 WO 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-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF ULK2, ULK3, ULK1 RET 623/4885KDR 2294/4885CSF1R 3918/4885

“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.