SCHEMBL7210451

SCHEMBL7210451

Clc1nccc(-c2ccncc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
AR P10275 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
KMO O15229 2/20 0.41

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
Pyrazine SCHEMBL28285881 0.86 KMT2A (0.53) NPC1RAB9ACYP1A2CYP3A4AR
SCHEMBL445042 0.83 MEN1 (0.59) RAB9AMAPTKMT2AMEN1LMNA
SCHEMBL441888 0.83 MAPT (0.59) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL18171776 0.81 GABRA1 (0.41) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL446173 0.81 MEN1 (0.58) NPC1RAB9AARMAPTKMT2A
SCHEMBL38657570 0.79 IDO1 (0.51) KMOADORA2ACYP19A1MAP4K4
SCHEMBL980557 0.79 IDO1 (0.51) KMOADORA2ACYP19A1MAP4K4
SCHEMBL444442 0.79 KMT2A (0.56) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL16161191 0.79 KMT2A (0.55) RAB9ACYP1A2MAPTKMT2AMEN1
SCHEMBL3754047 0.79 MEN1 (0.56) NPC1RAB9AMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
WO-2021058595-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-04-01 WO disclosed
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B NPC1 2744/4885RAB9A 3106/4885CYP1A2 684/4885

“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.