SCHEMBL622240

SCHEMBL622240

Ic1ccc(I)c2[nH]ncc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.52
METAP2 P50579 3/20 0.36
AXL P30530 2/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CCNA1 P78396 1/20 0.33
PTK2 Q05397 2/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
LTK P29376 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL20177012 0.83 NOS1 (0.46) NOS1METAP2AXLIDO1
Ammonia Solution, Strong SCHEMBL28854543 0.81 NOS1 (0.44) NOS1METAP2AXLIDO1
SCHEMBL358061 0.68 NOS1 (1.00) NOS1METAP2AXLCDK2IDO1
SCHEMBL2598373 0.67 MAPKAPK2 (0.38) NOS1METAP2PTK2CSNK1A1HTT
SCHEMBL29506132 0.67 NOS1 (0.47) NOS1CCNT1CCNA2CDK2CDK9
SCHEMBL22160446 0.66 NOS1 (0.55) NOS1METAP2AXLCCNA2CDK2
SCHEMBL22553827 0.63 NOS1 (0.43) NOS1
SCHEMBL29803170 0.62 MAPT (0.39) NOS1METAP2AXLCDK2PTK2
SCHEMBL21733358 0.62 MAPT (0.47) NOS1PTK2PLK4CHEK1AURKA
SCHEMBL21733576 0.62 MAPT (0.43) NOS1METAP2CDK2PTK2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603504-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-19 EP disclosed
US-20120195857-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-08-02 US disclosed
US-20120195857-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-08-02 US disclosed
WO-2012021591-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-16 WO disclosed
WO-2012021591-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-16 WO disclosed
US-4096333-A NITROSATION OF A 2-METHYLACETANILIDE TENNECO CHEMICALS, INC. (US) 1978-06-20 US disclosed
US-3988347-A NITROSATION OF A 2-METHYL-ACETANILIDE WITH SODIUM NITRITE TENNECO CHEMICALS, INC. (US) 1976-10-26 US 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-20120195857-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS NOS1 3677/4885METAP2 579/4885AXL 4133/4885

“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.