SCHEMBL4970526

SCHEMBL4970526

Cc1ccc(NC(=O)c2cc(F)cc(C(C)(C)C#N)c2)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
RAB9A P51151 4/20 0.61
LMNA P02545 4/20 0.61
NPC1 O15118 3/20 0.61
MAPK1 P28482 3/20 0.61
ATM Q13315 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.47
BRAF P15056 6/20 0.45
CYP2C9 P11712 4/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4205672 0.89 MAPT (0.62) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL4205763 0.87 MAPT (0.60) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL29877649 0.85 MAPT (0.64) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL1697857 0.85 MAPT (0.64) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL4829609 0.84 MAPT (0.67) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL4973741 0.83 BRAF (0.51) BRAFCYP2C9
SCHEMBL4209315 0.81 MAPT (0.53) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL29877572 0.80 MAPT (0.58) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL4198734 0.79 CSF1R (0.53) MAPTRAB9ALMNANPC1MAPK1
SCHEMBL1358751 0.79 MAPT (0.70) MAPTRAB9ALMNANPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1966159-A2 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-09-10 EP disclosed
WO-2007071963-A2 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-06-28 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-20080306096-A1 Quinazoline Derivatives, Process for Their Preparation and Their Use as Anti-Cancer Agents BRAF, RAF1, NRAS MAPT 4149/4885RAB9A 190/4885LMNA 2789/4885

“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.