SCHEMBL5414535

SCHEMBL5414535

O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)cnc1NCc1ccnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.46
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
BRAF P15056 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PDPK1 O15530 3/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
ATF1 P18846 1/20 0.42
NFKB1 P19838 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
KLKB1 P03952 1/20 0.40
MET P08581 2/20 0.40
FLT1 P17948 1/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL4977394 0.91 DHPS (0.46) KDRMETFLT1AURKA
SCHEMBL4972124 0.90 KDR (0.47) KDRBRAFCYP2D6CYP2C9PDPK1
SCHEMBL4975021 0.89 KDR (0.48) KDRMETFLT1
SCHEMBL4972995 0.85 KDR (0.64) KDRPDPK1MET
SCHEMBL4977706 0.85 KDR (0.49) KDRPDPK1MET
SCHEMBL11914216 0.83 KDR (0.40) KDRBRAFCYP2D6CYP2C9PDPK1
SCHEMBL4970611 0.83 PDPK1 (0.42) KDRBRAFPDPK1MAPK14TNNI3K
SCHEMBL4974499 0.82 DHPS (0.44) KDRPDPK1METFLT1AURKA
SCHEMBL11914994 0.81 DHPS (0.45) KDRFLT1AURKA
SCHEMBL4974261 0.81 KDR (0.44) KDRBRAFPDPK1KLKB1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US claimed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 US disclosed
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
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US 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 KDR 59/4885P2RX1 1373/4885P2RX4 1521/4885

“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.