SCHEMBL14896985

SCHEMBL14896985

O=C(Nc1cnccn1)c1cnc2ccc(-c3ccccc3F)nn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 10/20 0.45
▸ FAAH O00519 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL14897213 0.90 TGFBR1 (0.42) TGFBR1TSHRKMT2APIM3CDC7
SCHEMBL14897042 0.89 TGFBR1 (0.48) TGFBR1MKNK1RAB9ASMN1; SMN2
SCHEMBL14897562 0.88 PIM3 (0.42) TGFBR1TSHRRAB9ASMN1; SMN2KMT2A
SCHEMBL14896987 0.88 KDM4E (0.46) TGFBR1TSHRRAB9ASMN1; SMN2KMT2A
SCHEMBL14897200 0.87 TSHR (0.43) TGFBR1TSHRRAB9ASMN1; SMN2PRKD3
SCHEMBL14896895 0.87 TGFBR1 (0.41) TGFBR1TSHRRAB9ASMN1; SMN2KMT2A
SCHEMBL14897138 0.86 TGFBR1 (0.42) TGFBR1TSHRKMT2ACSNK1D
SCHEMBL14896949 0.85 LMNA (0.49) TGFBR1SMN1; SMN2KMT2A
SCHEMBL14897041 0.85 HTT (0.47) TGFBR1PIM3PIM1PIM2
SCHEMBL14896939 0.85 TGFBR1 (0.41) TGFBR1TSHRRAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 — — WO disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — WO 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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TGFBR1 4488/4885FAAH 2100/4885MKNK1 849/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TGFBR1 4488/4885FAAH 2100/4885MKNK1 849/4885

“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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