SCHEMBL4247629

SCHEMBL4247629

CCCNc1cc[c]nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM2 P31350 1/20 0.35
HCAR3 P49019 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LIMK1 P53667 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32
TLR7 Q9NYK1 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
TNIK Q9UKE5 1/20 0.30

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
SCHEMBL1098690 0.84
SCHEMBL1978538 0.73 MAPT (0.41) HPGDALDH1A1LIMK1KDM4EHSD17B10
SCHEMBL12697198 0.71 RRM2 (0.46) RRM2HCAR3KDM4EMAPTEDNRA
SCHEMBL2067802 0.69 KDM6B (0.36) RRM2HCAR3KDM6BKDM4CHPGD
SCHEMBL1924747 0.69 MAPT (0.57) ALDH1A1NR1I2AHRCA1CA2
SCHEMBL28224487 0.67 TRPV4 (0.46) RRM2HPGDALDH1A1TLR7SMN1; SMN2
SCHEMBL3643530 0.67 RAB9A (0.54) KDM6BKDM4CALDH1A1
SCHEMBL12982373 0.66 CNR2 (0.36) CNR2
SCHEMBL533329 0.65
SCHEMBL1418808 0.65 CYP1A2 (0.34) TLR7MAPTHTTTNIKMERTK

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
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 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 (2 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 RRM2 1105/4885HCAR3 531/4885KDM6B 3667/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 RRM2 1187/4885HCAR3 488/4885KDM6B 3780/4885

“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.