SCHEMBL4969295

SCHEMBL4969295

COC(=O)c1cc(F)cc(C(C)(C)C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 3/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FUT7 Q11130 1/20 0.39

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
SCHEMBL936288 0.89 NOTUM (0.46) NOTUMLMNACA12CA1CA2
SCHEMBL4200744 0.83 CA1 (0.43) NOTUMLMNAMEN1KMT2ACA12
SCHEMBL4199163 0.83 CA12 (0.58) NOTUMLMNAMEN1KMT2ACA12
SCHEMBL936865 0.83 CNR2 (0.43) NOTUMLMNACA12CA1CA2
SCHEMBL3934869 0.83 HCAR1 (0.46) LMNAKDM4ESLC6A3NFKB1TDP1
SCHEMBL29448808 0.83 HCAR1 (0.46) LMNAKDM4ESLC6A3NFKB1TDP1
SCHEMBL5004408 0.82 ATAD2 (0.43) NOTUMLMNACA12CA1CA2
SCHEMBL4207015 0.82 NOTUM (0.63) NOTUMLMNACA12CA1CA2
SCHEMBL26146853 0.82 ALDH1A1 (0.42) NOTUMLMNAMEN1KMT2ACA12
SCHEMBL24526540 0.81 NOTUM (0.49) NOTUMLMNAMEN1KMT2ACA12

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 NOTUM 3306/4885LMNA 2789/4885MEN1 568/4885

“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.