SCHEMBL4967923

SCHEMBL4967923

O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1F

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.51
KDR P35968 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
TRPV1 Q8NER1 4/20 0.47
MLYCD O95822 3/20 0.47
PTGS1 P23219 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
PRKCI P41743 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3956492 0.88 EGLN1 (0.50) RORCSMN1; SMN2KDREGLN1TRPV1
SCHEMBL445818 0.88 EGLN1 (0.62) SMN1; SMN2KDREGLN1TRPV1PTGS1
SCHEMBL4969614 0.86 KMT2A (0.54) PTGS1KDM4EKMT2AALDH1A1
SCHEMBL444553 0.84 TRPV1 (0.60) TRPV1KDM4E
SCHEMBL5422708 0.83 KMT2A (0.46) RORCKDREGLN1TRPV1KDM4E
SCHEMBL4600539 0.82 KMT2A (0.63) KDRKDM4EKMT2ANAPRTPRKCI
SCHEMBL12334586 0.81 RORC (0.72) RORCSMN1; SMN2MLYCDPTGS1KDM4E
SCHEMBL4599740 0.80 PRKCI (0.67) KDREGLN1KDM4EKMT2ANAPRT
SCHEMBL31077989 0.80 SMN1; SMN2 (0.63) RORCSMN1; SMN2KDRTRPV1MLYCD
SCHEMBL447449 0.79 NAPRT (0.51) KDRKDM4EKMT2ANAPRTPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS RORC 1276/4885SMN1; SMN2 2119/4885KDR 59/4885

“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.