SCHEMBL3842334

SCHEMBL3842334

CCc1ncc(C)nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.36
CRHR1 P34998 3/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
GRM5 P41594 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
POLB P06746 1/20 0.31
OPRK1 P41145 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10924648 0.83 S1PR4 (0.39) S1PR4GLAHTTPDCD1CD274
SCHEMBL11330035 0.83 KMT2A (0.31) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL23042830 0.81 PDCD1 (0.36) PDCD1CD274POLB
SCHEMBL11328853 0.81 ALDH1A1 (0.39) PDCD1CD274POLBALDH1A1MAPK1
SCHEMBL3839050 0.80 CRHR1 (0.33) S1PR4CRHR1GLAHTTPDCD1
SCHEMBL13259944 0.80 ALDH1A1 (0.38) S1PR4CRHR1GLAHTTPDCD1
SCHEMBL756047 0.79 KDM4E (0.35) S1PR4CRHR1PDCD1CD274KDM5B
SCHEMBL29832120 0.79 KDM4E (0.35) S1PR4CRHR1PDCD1CD274KDM5B
Hydrochloric Acid SCHEMBL23042878 0.79 PDCD1 (0.36) PDCD1CD274POLB
SCHEMBL108874 0.77 JAK3 (0.35) S1PR4KDM5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021231784-A1 PERK INHIBITING IMIDAZOLOPYRAZINE COMPOUNDS HIBERCELL, INC. (US) 2021-11-18 WO disclosed
EP-1446387-B1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN CO LLC (US) 2009-11-04 EP disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A S1PR4 2021/4885CRHR1 27/4885GLA 3248/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A S1PR4 2021/4885CRHR1 27/4885GLA 3248/4885

“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.