SCHEMBL4096878

SCHEMBL4096878

CCN(c1nc(-c2cccc3cccnc23)c2[nH]nc([N+](=O)[O-])c2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 5/20 0.35
NFKBIA P25963 2/20 0.35
RELA Q04206 2/20 0.35
MAPT P10636 4/20 0.32
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 3/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4108419 0.88 CRHR1 (0.33) SLC40A1NFKBIARELAMAPTKMT2A
SCHEMBL4105491 0.87 CRHR1 (0.35) SLC40A1NFKBIARELAMAPTKDM4E
SCHEMBL4091836 0.87 SLC40A1 (0.33) SLC40A1NFKBIARELAMAPTKDM4E
SCHEMBL4090226 0.81 METAP2 (0.37) SLC40A1NFKBIARELAMAPTSMN1; SMN2
SCHEMBL4710336 0.75 SLC40A1 (0.34) SLC40A1NFKBIARELAKMT2AKDM4E
SCHEMBL4708043 0.74 CRHR1 (0.32) SLC40A1NFKBIARELAKDM4EL3MBTL1
SCHEMBL4107196 0.68 RXFP1 (0.38)
SCHEMBL4095952 0.67 CRHR1 (0.41)
SCHEMBL4102274 0.67 NLRP3 (0.33)
SCHEMBL4102310 0.66 CRHR1 (0.33) HSP90AA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 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 (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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 SLC40A1 1254/4885NFKBIA 4322/4885RELA 4493/4885

“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.