SCHEMBL17203383

SCHEMBL17203383

Cc1cnc(-c2cc(Br)cnc2N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ NOS1 P29475 2/20 0.41
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2A6 P11509 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17203540 0.79 KMT2A (0.43) KMT2AHTTNOS1PIK3CDPIK3CB
SCHEMBL17255919 0.75 KMT2A (0.65) KMT2AHTTNOS1NPC1MEN1
SCHEMBL17203507 0.73 PIK3CD (0.49) KMT2AHTTPIK3CDPIK3CBPIK3CG
SCHEMBL22558703 0.73 KMT2A (0.41) KMT2AHTTNPC1MEN1ALDH1A1
SCHEMBL22558858 0.72 KMT2A (0.40) KMT2AHTTPIK3CDPIK3CBPIK3CG
SCHEMBL25303191 0.71 HTT (0.46) KMT2AHTTNOS1NPC1MEN1
SCHEMBL17203208 0.71 NOS1 (0.46) NOS1PIK3CDPIK3CBPIK3CGNPC1
SCHEMBL17203430 0.70 KMT2A (0.44) KMT2AHTTNOS1PIK3CDPIK3CB
SCHEMBL25260124 0.70 KMT2A (0.44) KMT2AHTTNPC1MEN1ALDH1A1
SCHEMBL13968119 0.69 MAP4K4 (0.54) KMT2AHTTNPC1MEN1ALDH1A1

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-3134396-B1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2019-09-18 — — EP disclosed
US-10112926-B2 Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-10-30 — — US disclosed
EP-3134396-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Novartis AG (CH) 2017-03-01 — — EP disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 — — US disclosed
WO-2015162456-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2015-10-29 — — 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-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP4K2B, PHKG1 KMT2A 2520/4885HTT 4793/4885NOS1 2499/4885
US-10112926-B2 Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP4K2B, PHKG1 KMT2A 2520/4885HTT 4793/4885NOS1 2499/4885

“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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