SCHEMBL415707

SCHEMBL415707

N=C(N)c1ccc(Cl)nc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.55
DGAT1 O75907 2/20 0.55
LMNA P02545 2/20 0.50
UBE2T Q9NPD8 2/20 0.49
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
PLAU P00749 2/20 0.43
MASP2 O00187 1/20 0.43
THPO P40225 1/20 0.43
FURIN P09958 1/20 0.42
PRSS1 P07477 2/20 0.41
F2 P00734 2/20 0.41
APEX1 P27695 1/20 0.41
PRSS3 P35030 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CD O00329 1/20 0.41
ST14 Q9Y5Y6 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
Hydrochloric Acid SCHEMBL445078 0.98 LMNA (0.54) NAPRTDGAT1LMNAUBE2TADRA2A
SCHEMBL19047417 0.83 NAPRT (0.52) NAPRTDGAT1LMNAADRA2AADRA2B
SCHEMBL17778492 0.79 NAPRT (0.52) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL19724261 0.78 DGAT1 (0.59) NAPRTDGAT1LMNARAB9ASMN1; SMN2
SCHEMBL29524193 0.78 NAPRT (0.67) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL5353170 0.78 NAPRT (0.55) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL388168 0.78 NAPRT (0.67) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL14214692 0.78 DGAT1 (0.50) NAPRTDGAT1ADRA2AADRA2BADRA2C
SCHEMBL28344110 0.77 P4HA1 (0.52) LMNAUBE2TPLAUMASP2THPO
Hydrochloric Acid SCHEMBL3346497 0.77 NAPRT (0.64) NAPRTDGAT1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308636-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-04 US disclosed
US-10039764-B2 Treatment and diagnosis of cancer and precancerous conditions using PDE10A inhibitors and methods to measure PDE10A expression UNIVERSITY OF SOUTH ALABAMA (US) 2018-08-07 US disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20160143912-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION UNIVERSITY OF SOUTH ALABAMA (US) 2016-05-26 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
EP-1562595-B1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-05-21 EP disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
EP-1521756-A1 HETERO-CYCLICALY SUBSTITUTED IMIDAZOTRIAZINES Bayer HealthCare AG (DE) 2005-04-13 EP disclosed
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
WO-2004005291-A1 HETERO-CYCLICALY SUBSTITUTED IMIDAZOTRIAZINES BAYER HEALTHCARE AG (DE) 2004-01-15 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 (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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 NAPRT 1073/4885DGAT1 1688/4885LMNA 2943/4885
US-10039764-B2 Treatment and diagnosis of cancer and precancerous conditions using PDE10A inhibitors and methods to measure PDE10A expression PDE4A, PDE7B, PDE2A NAPRT 380/4885DGAT1 1070/4885LMNA 352/4885
US-10308636-B2 Aromatic heterocyclic compound GPR119, NR0B1, BET1 NAPRT 1073/4885DGAT1 1688/4885LMNA 2943/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 NAPRT 3220/4885DGAT1 1765/4885LMNA 3897/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 NAPRT 1073/4885DGAT1 1688/4885LMNA 2943/4885
US-20160143912-A1 TREATMENT AND DIAGNOSIS OF CANCER AND PRECANCEROUS CONDITIONS USING PDE10A INHIBITORS AND METHODS TO MEASURE PDE10A EXPRESSION PDE4A, PDE7B, PDE2A NAPRT 380/4885DGAT1 1070/4885LMNA 352/4885

“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.