Sugi Predict

Sugi Predict / Compounds / SCHEMBL2885408

SCHEMBL2885408

SCHEMBL2885408

Cc1cc(C)n(-c2cnc(CO)c(Cl)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ UBE2T Q9NPD8 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 1/20 0.37
▸ BCL6 P41182 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL2885828 0.86 TSHR (0.42) TSHRSMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL2891690 0.79 BCL6 (0.57) SMN1; SMN2MEN1KMT2AHTTMAPT
SCHEMBL2889096 0.74 SMN1; SMN2 (0.44) TSHRSMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL11328853 0.72 ALDH1A1 (0.39) SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL21143862 0.70 ALDH1A1 (0.44) TSHRSMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL2889626 0.70 BCL6 (0.55) TSHRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL2891461 0.69 HTT (0.51) TSHRSMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL13479765 0.69 TSHR (0.55) TSHRSMN1; SMN2MEN1CYP2C9CYP2C19
SCHEMBL2890777 0.69 BCL6 (0.51) TSHRSMN1; SMN2MEN1CYP2C19KMT2A
SCHEMBL2889498 0.69 BCL6 (0.57) SMN1; SMN2MEN1KMT2AHTTMAPT

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
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 — — US disclosed
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 — — US disclosed
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 — — US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 — — US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 — — US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 — — US disclosed
EP-2203436-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-07-07 — — EP disclosed
WO-2009037247-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-03-26 — — 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-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNQ5, KCNA5 TSHR 2520/4885SMN1; SMN2 3616/4885MEN1 3388/4885

“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.