SCHEMBL9979367

SCHEMBL9979367

CNc1nc2ccc(F)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.51
ALPI P09923 1/20 0.51
ALPG P10696 1/20 0.51
IDO1 P14902 1/20 0.49
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPK1 P28482 1/20 0.47
KDR P35968 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MPO P05164 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
AMY1A P0DUB6 6/20 0.45
METAP2 P50579 2/20 0.45
METAP1 P53582 2/20 0.45
CBFB Q13951 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
BACE1 P56817 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL16053859 0.86 MTOR (0.43) ALPLALPIALPGADORA3PTGS1
SCHEMBL12331846 0.80 ADORA2A (0.64) METAP2METAP1CBFBADORA2A
SCHEMBL21769332 0.80 CSNK1D (0.48) KDRHRH4ADORA2A
SCHEMBL25749256 0.79 MEN1 (0.54) MAPK1RXFP1HRH4
SCHEMBL2146355 0.79 ALDH1A1 (0.56) ADORA2A
Hydrochloric Acid SCHEMBL20291496 0.79 ADORA2A (0.62) ADORA2A
SCHEMBL28376156 0.79 ALDH1A1 (0.61) MAPK1HRH4BACE1
SCHEMBL16188967 0.78 IDO1 (0.60) ALPLALPIALPGIDO1TCF4
SCHEMBL28503804 0.78 KDM4E (0.45) ADORA3PTGS1MAPK1KDRRXFP1
SCHEMBL4239909 0.78 IDO1 (0.46) ALPLALPIALPGIDO1TCF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286645-A Tricyclic heterocyclic derivatives, pharmaceutical compositions and uses thereof 南京雷正医药科技有限公司 2022-11-04 CN disclosed
CN-111205310-A Heterocyclic fused pyrimidine derivative, and pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2020-05-29 CN disclosed
US-9421213-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-08-23 US disclosed
US-20160074412-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-03-17 US disclosed
US-9155742-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-10-13 US disclosed
US-20150164908-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-8999997-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-07 US disclosed
EP-2579877-B1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2014-08-13 EP disclosed
US-20140018364-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2014-01-16 US disclosed
US-8552004-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-10-08 US disclosed
EP-2579877-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2013-04-17 EP disclosed
US-20130005725-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-8252802-B2 Chemical compounds ASTRAZENECA AB (SE) 2012-08-28 US disclosed
WO-2011154737-A1 MORPHOLINO PYRIMIDINES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-12-15 WO disclosed
US-20110306613-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 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 (5 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-20150164908-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 ALPL 3806/4885ALPI 1171/4885ALPG 3740/4885
US-20110306613-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ALPL 3806/4885ALPI 1171/4885ALPG 3740/4885
US-20160074412-A1 Chemical Compounds CYP2C19, ABCG2, CYP2C9 ALPL 3806/4885ALPI 1171/4885ALPG 3740/4885
US-20130005725-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ALPL 3806/4885ALPI 1171/4885ALPG 3740/4885
US-20140018364-A1 CHEMICAL COMPOUNDS CYP2C19, ABCG2, CYP2C9 ALPL 3806/4885ALPI 1171/4885ALPG 3740/4885

“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.