SCHEMBL4285638

SCHEMBL4285638

N#CCCNC(=O)c1nn(C2CCCCO2)cc1NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
DDR2 Q16832 1/20 0.41
ADCY8 P40145 1/20 0.41
ADCY1 Q08828 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CCR2 P41597 3/20 0.39
BRAF P15056 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
RAF1 P04049 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL4281645 0.91 CD274 (0.41) FGFR1DDR2MEN1KMT2APOLB
SCHEMBL4279713 0.88 CREBBP (0.38) FGFR1DDR2POLB
SCHEMBL4287284 0.88 HPGD (0.42) MEN1KMT2AKDM4EALDH1A1
SCHEMBL4288807 0.88 RORC (0.42)
SCHEMBL4289272 0.88 CD274 (0.41) GAAKDM4EALDH1A1POLB
SCHEMBL4282950 0.87 HPGD (0.45) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL4288766 0.83 CD274 (0.42) ADCY1MEN1KMT2AGAAALDH1A1
SCHEMBL4285433 0.82 CD274 (0.38)
SCHEMBL4288832 0.81 MAPK14 (0.40) KMT2ATAS1R3TAS1R1
SCHEMBL4288476 0.81 KMT2A (0.43) ADCY1MEN1KMT2AGAAALDH1A1

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-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP 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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP FGFR1 2577/4885DDR2 3935/4885ADCY8 2071/4885

“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.