SCHEMBL4972115

SCHEMBL4972115

CN(c1ncc(F)cc1C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccnc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.41
KDR P35968 2/20 0.41
MAPK14 Q16539 1/20 0.41
TNNI3K Q59H18 1/20 0.41
CYP2C9 P11712 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
THRB P10828 1/20 0.39
PIM1 P11309 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 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
SCHEMBL1892986 0.81 TRPV1 (0.47) KDRSMN1; SMN2NPC1LMNARAB9A
SCHEMBL4972124 0.77 KDR (0.47) BRAFKDRMAPK14TNNI3KCYP2C9
SCHEMBL4977902 0.71 MET (0.36) JAK2JAK1METCIT
SCHEMBL4974499 0.71 DHPS (0.44) KDRSMN1; SMN2NPC1HTTRAB9A
SCHEMBL4970611 0.70 PDPK1 (0.42) BRAFKDRMAPK14TNNI3KMET
SCHEMBL17980461 0.70 ATF1 (0.57) ATF1NFKB1NR3C1
SCHEMBL4966684 0.69 NFKB1 (0.58) CYP2C9JAK2JAK1SMN1; SMN2NPC1
SCHEMBL5429676 0.68 FLT3 (0.52) KDRAURKAATF1NFKB1FLT3
SCHEMBL5415125 0.68 TRPV1 (0.47) SMN1; SMN2NPC1LMNAHTTRAB9A
SCHEMBL5423013 0.68 KDR (0.51) BRAFKDRMAPK14TNNI3KLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP claimed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 US claimed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO claimed
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 BRAF 794/4885KDR 59/4885MAPK14 2921/4885

“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.