SCHEMBL10973669

SCHEMBL10973669

COc1ccc(-c2cnc(Nc3ccccc3)nc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
CDK1 P06493 1/20 0.53
KDR P35968 1/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
KCNH3 Q9ULD8 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PLK1 P53350 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
ALOX5 P09917 1/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50

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
SCHEMBL10971409 0.92 HDAC3 (0.59) CDK1KDRMEN1KMT2ANPC1
SCHEMBL14499097 0.86 HDAC3 (0.54) MEN1KMT2ANPC1RAB9AHDAC3
SCHEMBL10976137 0.86 HDAC3 (0.54) MEN1KMT2ANPC1RAB9AHDAC3
SCHEMBL13713071 0.85 RAB9A (0.61) MEN1KMT2ANPC1RAB9AHDAC3
SCHEMBL28387521 0.84 MEN1 (0.51) CDK1KDRMEN1KMT2ANPC1
SCHEMBL27739213 0.84 HDAC3 (0.49) ADORA2AADORA2BCDK1KDRMEN1
SCHEMBL13605438 0.84 PIK3CG (0.51) CDK1KDRMEN1KMT2ANPC1
SCHEMBL10973487 0.83 ACHE (0.56) CDK1KDRMEN1KMT2ANPC1
SCHEMBL1735277 0.83 CSNK2A1 (0.68) KDRHDAC3HDAC1HDAC2HDAC6
SCHEMBL1735275 0.83 RAF1 (0.59) KDRMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-85103378-A Process for preparing a group of novel compounds, formulations containing these compounds and their use in therapy 1986-07-09 CN claimed
EP-0164204-A1 Novel pharmaceutically useful pyrimidines FISONS plc (GB) 1985-12-11 EP claimed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
CN-85103378-A Process for preparing a group of novel compounds, formulations containing these compounds and their use in therapy 1986-07-09 CN disclosed
EP-0164204-A1 Novel pharmaceutically useful pyrimidines FISONS plc (GB) 1985-12-11 EP 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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE ADORA2A 101/4885ADORA2B 239/4885CDK1 531/4885

“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.