SCHEMBL7744993

SCHEMBL7744993

Cc1[nH]c2nc(-c3cccc(F)c3)nc(N[C@H]3CC[C@H](O)CC3)c2c1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.77
▸ ADORA2A P29274 8/20 0.77
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ IRAK1 P51617 1/20 0.42
▸ FYN P06241 1/20 0.41
▸ EGFR P00533 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ ABL2 P42684 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL14274343 0.87 ADORA1 (0.58) ADORA1ADORA2AEGFRABL1ABL2
SCHEMBL4251031 0.81 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BIRAK1
SCHEMBL4251032 0.81 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BIRAK1
SCHEMBL4251034 0.81 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BIRAK1
SCHEMBL4260180 0.79 ADORA1 (0.75) ADORA1ADORA2AADORA3ADORA2BIRAK1
SCHEMBL4260177 0.79 ADORA1 (0.75) ADORA1ADORA2AADORA3ADORA2BIRAK1
SCHEMBL15425807 0.77 ADORA1 (0.81) ADORA1ADORA2AADORA3ADORA2BEGFR
SCHEMBL22587438 0.76 CYP1A2 (0.47) ADORA1ADORA2AADORA3ADORA2BMAP4K4
SCHEMBL29426168 0.76 CYP1A2 (0.47) ADORA1ADORA2AADORA3ADORA2BMAP4K4
SCHEMBL4496406 0.76 ADORA1 (0.78) ADORA1ADORA2AADORA3ADORA2BEGFR

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-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 — — 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 ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885

“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.

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