SCHEMBL18763501

SCHEMBL18763501

O=[N+]([O-])c1ccc(C#Cc2cnc3ccc(Cl)nn23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.40
ADK P55263 1/20 0.39
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
DYRK1A Q13627 7/20 0.36
DYRK2 Q92630 7/20 0.36
CDK5 Q00535 6/20 0.36
CDK5R1 Q15078 6/20 0.36
DYRK1B Q9Y463 6/20 0.36
DYRK3 O43781 5/20 0.36
CCNA2 P20248 5/20 0.36
CDK2 P24941 5/20 0.36
CCNT1 O60563 3/20 0.35
CDK9 P50750 3/20 0.35
MAPT P10636 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
TGM2 P21980 3/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL18763477 0.85 CASP3 (0.37) ADKCASP3SENP8SENP7SENP6
SCHEMBL18781690 0.75 TNF (0.36) TNFDYRK1ADYRK2CDK5CDK5R1
SCHEMBL430605 0.72 TNF (0.50) TNFDYRK1ADYRK2CDK5CDK5R1
SCHEMBL15674118 0.72 TNF (0.46) TNFDYRK1ADYRK2CDK5CDK5R1
SCHEMBL18763455 0.72 CYP1A2 (0.45) MAPTCYP1A2LMNAKDM4EALDH1A1
SCHEMBL16620406 0.70 TNF (0.44) TNFDYRK1ADYRK2CDK5CDK5R1
SCHEMBL18763486 0.69 CASP3 (0.36) ADKCASP3SENP8SENP7SENP6
SCHEMBL14664048 0.69 CASP3 (0.63) CASP3SENP8SENP7SENP6MAPT
SCHEMBL430890 0.69 TNF (0.49) TNFDYRK1ADYRK2CDK5CDK5R1
SCHEMBL16620325 0.69 TNF (0.49) TNFDYRK1ADYRK2CDK5CDK5R1

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-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
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 TNF 4555/4885ADK 38/4885CASP3 1854/4885
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof ULK2, ULK3, ULK1 TNF 4555/4885ADK 38/4885CASP3 1854/4885

“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.