SCHEMBL2913682

SCHEMBL2913682

Cc1ccc(Nc2nc(-c3ccccn3)nc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.69
MAPT P10636 3/20 0.69
LMNA P02545 1/20 0.69
TP53 P04637 1/20 0.69
ABCB1 P08183 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
RAB9A P51151 2/20 0.62
GBA1 P04062 1/20 0.62
TGFBR1 P36897 3/20 0.60
MAPK14 Q16539 1/20 0.60
METAP1 P53582 1/20 0.60
NPY5R Q15761 1/20 0.59
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL2912538 0.89 ABCG2 (0.68) ABCG2MAPTLMNAABCB1KDM4E
SCHEMBL9937654 0.86 ABCG2 (0.77) ABCG2MAPTLMNAABCB1KDM4E
SCHEMBL22201364 0.82 ABCG2 (0.94) ABCG2MAPTLMNATP53ABCB1
SCHEMBL8095812 0.82 ABCG2 (1.00) ABCG2MAPTLMNATP53ABCB1
SCHEMBL4470574 0.81 KMT2A (0.64) ABCG2MAPTLMNAABCB1KDM4E
SCHEMBL1083796 0.80 KDM4E (1.00) ABCG2MAPTLMNATP53ABCB1
SCHEMBL5531993 0.79 ABCG2 (0.89) ABCG2MAPTLMNATP53ABCB1
SCHEMBL1083802 0.79 MEN1 (0.81) ABCG2MAPTLMNATP53KDM4E
SCHEMBL14084544 0.76 NPY5R (0.59) ABCG2MAPTLMNATP53KDM4E
SCHEMBL8093527 0.76 ABCG2 (0.82) ABCG2MAPTLMNATP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966184-B1 PYRIDINYL-QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-08-25 EP disclosed
US-20090306102-A1 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES NEUROSEARCH A/S (DK) 2009-12-10 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-20090306102-A1 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES KCNJ2, KCNQ1, KCNK2 ABCG2 1586/4885MAPT 2920/4885LMNA 1262/4885

“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.