SCHEMBL856172

SCHEMBL856172

[c]1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDE5A O76074 4/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 2/20 0.42
ATM Q13315 1/20 0.42
ACP1 P24666 5/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1870772 0.73 L3MBTL1 (0.52) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8193283 0.73 CYP3A4 (0.39) MEN1KMT2ACYP1A2LMNAMAPT
SCHEMBL4754619 0.73 CYP1A2 (0.42) ABCG2PDE5ACYP1A1CYP1A2CYP1B1
SCHEMBL4741666 0.72 MAOA (0.43) MEN1KMT2APDE5ANPC1MAPT
SCHEMBL857662 0.71 LMNA (0.39) MEN1KMT2ACYP1A2LMNAMAPT
SCHEMBL5251836 0.71 DCPS (0.47) MEN1KMT2ACYP1A2NPC1LMNA
SCHEMBL8515886 0.71 MAPT (0.36) ABCG2KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL7954324 0.71 CYP11B2 (0.44) CYP1A2
SCHEMBL27719232 0.71 RAB9A (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23069184 0.68 NUDT1 (0.49) CYP1A2LMNAMAPTRECQLRAB9A

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653088-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-18 US claimed
US-20130245033-A1 AMIDE COMPOUNDS GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2013-09-19 US claimed
US-20090325968-A1 Compositions Useful as Inhibitors of Protein Kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-31 US claimed
US-20040192682-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-09-30 US claimed
WO-2004072029-A2 PYRAZOLOPYRIDAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-08-26 WO claimed
WO-2024113351-A1 CULTURE MEDIUM, COATING MATRIX AND METHOD FOR MATURING MIDBRAIN DOPAMINERGIC PROGENITOR CELLS NUWACELL BIOTECHNOLOGIES CO., LTD. (CN) 2024-06-06 WO disclosed
WO-2024113354-A1 CULTURE MEDIUM, COATING MATRIX AND METHOD FOR EXPANDING MIDBRAIN DOPAMINERGIC PROGENITOR CELLS NUWACELL BIOTECHNOLOGIES CO., LTD. (CN) 2024-06-06 WO disclosed
US-11518756-B2 Arylation method UMICORE AG & CO. KG (DE) 2022-12-06 US disclosed
EP-3383861-B1 BUCHWALD-HARTWIG ARYLATION METHOD FOR THE PREPARATION OF TERTIARY AMINES UMICORE AG & CO KG (DE) 2021-03-17 EP disclosed
US-20200031803-A1 ARYLATION METHOD UMICORE AG & CO. KG (DE) 2020-01-30 US disclosed
EP-3383861-A2 ARYLATION METHOD Umicore AG & Co. KG (DE) 2018-10-10 EP disclosed
WO-2017093427-A2 ARYLATION METHOD UMICORE AG & CO. KG (DE) 2017-06-08 WO disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
US-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2005-05-26 US disclosed
US-20040192682-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-09-30 US disclosed
WO-2004072029-A2 PYRAZOLOPYRIDAZINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-08-26 WO disclosed
EP-1317452-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2003-06-11 EP disclosed
WO-2002022608-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 WO disclosed
US-6124330-A A RETINOIC MIMETIC COMPOUND FOR TREATING A WARM-BLOODED ANIMAL SUFFERING FROM A DISEASE BY AN ABNORMAL PROLIFERATION AND/OR ABNORMAL DIFFERENTIATION OF NORMAL, PRENEOPLASTIC OR NEOPLASTIC CELLS JANSSEN-CILAG S.A. (FR) 2000-09-26 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 (6 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-20130245033-A1 AMIDE COMPOUNDS AR, AVPR2, H1-0 ABCG2 60/4885MEN1 2383/4885KMT2A 1161/4885
US-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 ABCG2 202/4885MEN1 1061/4885KMT2A 2242/4885
US-20040192682-A1 Compositions useful as inhibitors of protein kinases GSK3A, GSK3B, CSNK1A1 ABCG2 2832/4885MEN1 1266/4885KMT2A 2215/4885
US-20090325968-A1 Compositions Useful as Inhibitors of Protein Kinases GSK3A, GSK3B, GSKIP ABCG2 2527/4885MEN1 1719/4885KMT2A 1927/4885
US-11518756-B2 Arylation method AHR, ARNT, CYP2B6 ABCG2 364/4885MEN1 3371/4885KMT2A 660/4885
US-20200031803-A1 ARYLATION METHOD AHR, ARNT, CYP2B6 ABCG2 364/4885MEN1 3371/4885KMT2A 660/4885

“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.