SCHEMBL4969220

SCHEMBL4969220

O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cc(F)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 3/20 0.47
▸ ATF1 P18846 1/20 0.47
▸ ABL1 P00519 3/20 0.46
▸ JUN P05412 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ P2RX1 P51575 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ TMPRSS4 Q9NRS4 1/20 0.44
▸ RORC P51449 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ TYK2 P29597 1/20 0.43
▸ NR3C1 P04150 2/20 0.43
▸ KCNQ3 O43525 2/20 0.42
▸ KCNQ2 O43526 2/20 0.42
▸ KCNE1 P15382 2/20 0.42
▸ KCNQ1 P51787 2/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL4966684 0.90 NFKB1 (0.58) NFKB1ATF1ABL1JUNNFKB2
SCHEMBL4966677 0.86 RAB9A (0.51) NFKB1ATF1MAPK1HTTRAB9A
SCHEMBL4970824 0.84 P2RX1 (0.54) ABL1P2RX1P2RX4P2RX7NR3C1
SCHEMBL4971162 0.82 RAB9A (0.51) NFKB1NFKB2RELANR3C1MAPK1
SCHEMBL4967520 0.82 RAB9A (0.53) ABL1P2RX1KCNQ3KCNQ2KCNE1
SCHEMBL4970130 0.81 ABL1 (0.67) ABL1HTTRAB9A
SCHEMBL1585024 0.80 NFKB1 (0.52) NFKB1ATF1JUNNFKB2RELA
SCHEMBL4967762 0.80 SMN1; SMN2 (0.53) NR3C1RAB9A
SCHEMBL4967737 0.79 P2RX1 (0.58) P2RX1P2RX4P2RX7TMPRSS4KCNQ3
SCHEMBL4969158 0.79 KCNQ3 (0.47) NFKB1ATF1ABL1TMPRSS4KCNQ3

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 NFKB1 893/4885ATF1 2268/4885ABL1 1280/4885

“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.

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