SCHEMBL7750000

SCHEMBL7750000

Clc1nc(-c2ccncc2)nc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
MAPK1 P28482 1/20 0.41
MTOR P42345 1/20 0.40
PRKCI P41743 2/20 0.40
AXL P30530 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
TGFBR1 P36897 5/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C8 P10632 2/20 0.37
CYP3A4 P08684 1/20 0.37
LATS1 O95835 2/20 0.36
LATS2 Q9NRM7 2/20 0.36

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
SCHEMBL2231632 0.85 ADORA1 (0.51) PIK3CAMAPK1MTORPRKCIAXL
SCHEMBL7661563 0.82 ADORA1 (0.39) PRKCIAXLMEN1KMT2AADORA1
SCHEMBL2154969 0.81 NUDT1 (0.52) MAPK1PRKCIAXLKMT2ACYP1A2
SCHEMBL8366781 0.80 RAB9A (0.47) PIK3CAPIK3CDPIK3CBPIK3CGMAPK1
SCHEMBL7749942 0.80 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMAPK1
SCHEMBL8357563 0.76 NUDT1 (0.54) PIK3CAMTORADORA1ADORA3ADORA2A
SCHEMBL4286625 0.74 PIK3CA (0.58) PIK3CAPIK3CGMTORADORA1ADORA3
SCHEMBL13649810 0.74 RAB9A (0.46) PIK3CAMAPK1MTORMEN1KMT2A
SCHEMBL10505531 0.73 PIK3CA (0.45) PIK3CAPIK3CDPIK3CBPIK3CGMAPK1
SCHEMBL3720737 0.73 METAP1 (0.59) PRKCIAXLMEN1KMT2ATGFBR1

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
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 US disclosed
US-7598252-B2 Compounds specific to adenosine A, receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-10-06 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 PIK3CA 1397/4885PIK3CD 2515/4885PIK3CB 2541/4885

“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.