SCHEMBL3718290

SCHEMBL3718290

Brc1cncc(-c2cc(-c3ccccn3)nc(N3CCCC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.47
▸ METAP1 P53582 2/20 0.44
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ HDAC1 Q13547 5/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ADK P55263 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL3663765 0.78 CCR1 (0.40) METAP1PIK3CAPIK3CGHPGDKMT2A
SCHEMBL3659080 0.77 CYP1A2 (0.45) KMT2ALMNATSHRHTTRAB9A
SCHEMBL3663909 0.76 GPR39 (0.54) KMT2ALMNAHTTMAPK1TDP1
SCHEMBL3664859 0.76 GPR39 (0.51) PIM1KMT2ALMNAHTTMAPK1
SCHEMBL3665002 0.76 GPR39 (0.47) PIM1
SCHEMBL3663615 0.75 CCR1 (0.37) METAP1HPGDLMNATSHRHTT
SCHEMBL3664991 0.75 MDM2 (0.41) METAP1KMT2AADKLMNATSHR
SCHEMBL3718273 0.75 DRD2 (0.46) CNR2PIK3CAPIK3CBPIK3CGTSHR
SCHEMBL3667875 0.74 GPR39 (0.37) METAP1KMT2ALMNATSHRHTT
SCHEMBL3661769 0.74 KDM4E (0.37) KMT2ALMNATSHRRAB9A

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 — — EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 — — US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 — — EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 — — US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 — — 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 (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-20090215776-A1 Organic compounds REN, RXFP1, MYLK CNR2 2515/4885METAP1 3533/4885PIK3CA 3688/4885

“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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