SCHEMBL4970591

SCHEMBL4970591

CC(c1cc(NC(=O)c2cccnc2F)cc(C(F)(F)F)c1)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.43
KDR P35968 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX1 P51575 4/20 0.41
P2RX7 Q99572 2/20 0.41
P2RX4 Q99571 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL447881 0.90 ALDH1A1 (0.43) TRPV4KDRMEN1KMT2AP2RX1
SCHEMBL6226049 0.84 KDR (0.51) TRPV4KDRMEN1KMT2AP2RX1
SCHEMBL447145 0.83 KDR (0.69) KDR
SCHEMBL3891393 0.80 KDR (0.53) KDRMEN1KMT2ATUBB4ATUBB
SCHEMBL4967901 0.80 NR2E1 (0.41) TRPV4KDRRXFP1TRPA1ALDH1A1
SCHEMBL4973832 0.79 KDR (0.48) KDRMEN1KMT2ATUBB4ATUBB
SCHEMBL6105138 0.76 KDR (0.41) KDRMEN1KMT2AP2RX1P2RX7
SCHEMBL447048 0.74 TMPRSS4 (0.56) KDRMEN1KMT2AP2RX1P2RX7
SCHEMBL447630 0.74 KDR (0.53) TRPV4KDRMEN1KMT2AP2RX1
SCHEMBL5427995 0.72 KDR (0.46) TRPV4KDRMEN1KMT2AP2RX1

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 TRPV4 2889/4885KDR 59/4885MEN1 946/4885

“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.