SCHEMBL1944896

SCHEMBL1944896

Nc1nn(C(=O)O)c2cc(Br)ccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.75
CDK5 Q00535 1/20 0.75
TYRO3 Q06418 1/20 0.75
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CHEK1 O14757 1/20 0.38
PDPK1 O15530 2/20 0.38
JAK2 O60674 2/20 0.38
ELANE P08246 2/20 0.36
TBK1 Q9UHD2 1/20 0.36
RORC P51449 2/20 0.35
KMO O15229 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
MAP3K14 Q99558 2/20 0.33
IKBKB O14920 1/20 0.33
MCL1 Q07820 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL22715315 0.87 PDGFRA (0.57) PDGFRACDK5TYRO3KDM4EGLA
SCHEMBL793288 0.81 PDGFRA (0.54) PDGFRACDK5TYRO3ELANEKMO
SCHEMBL17113578 0.81 PDGFRA (0.61) PDGFRACDK5TYRO3ELANETBK1
SCHEMBL1941881 0.79 PDGFRA (0.67) PDGFRACDK5TYRO3CHEK1ELANE
SCHEMBL29568612 0.79 PDGFRA (0.67) PDGFRACDK5TYRO3CHEK1ELANE
SCHEMBL788386 0.78 PDGFRA (0.48) PDGFRACDK5TYRO3CHEK1ELANE
SCHEMBL20740648 0.77 PDGFRA (0.50) PDGFRACDK5TYRO3ELANEKMO
SCHEMBL11749311 0.76 ELANE (0.49) PDGFRACDK5TYRO3KDM4EELANE
SCHEMBL18764527 0.75 PDGFRA (0.51) PDGFRACDK5TYRO3KDM4EELANE
SCHEMBL18096608 0.74 PDGFRA (0.57) PDGFRACDK5TYRO3KDM4EGLA

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
EP-2435429-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-02 EP disclosed
US-8211928-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-03 US disclosed
EP-2435429-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-04-04 EP disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 US disclosed
WO-2010138488-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-02 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-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PDGFRA 2077/4885CDK5 1235/4885TYRO3 3811/4885

“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.