SCHEMBL1128935

SCHEMBL1128935

N[N+]12C=CN=CC1=C(C1CCC(C(=O)O)CC1)N=C2c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 8/20 0.42
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BTK Q06187 3/20 0.34
LCK P06239 2/20 0.33
KDR P35968 2/20 0.33
TEK Q02763 2/20 0.33
SCN9A Q15858 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 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
SCHEMBL1129685 0.93 TNK2 (0.42) TNK2SMN1; SMN2BTKLCKKDR
SCHEMBL1129654 0.91 TNK2 (0.44) TNK2NPC1RAB9AALDH1A1BTK
SCHEMBL4357960 0.90 TNK2 (0.45) TNK2ALDH1A1SMN1; SMN2BTKLCK
SCHEMBL1129132 0.86 TNK2 (0.41) TNK2NPC1RAB9ABTKLCK
SCHEMBL4363607 0.86 TNK2 (0.49) TNK2BTK
SCHEMBL1129366 0.86 TNK2 (0.41) TNK2BTKLCKKDRTEK
SCHEMBL4370284 0.85 GABRA1 (0.39) TNK2BTKLCKTEK
SCHEMBL1130948 0.85 TNK2 (0.39) TNK2BTKLCKKDRTEK
SCHEMBL4357554 0.84 TNK2 (0.38) TNK2BTKLCKKDRTEK
SCHEMBL1131237 0.83 TNK2 (0.37) TNK2NPC1RAB9ABTK

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
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US claimed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP claimed
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 TNK2 2837/4885NPC1 294/4885RAB9A 687/4885

“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.