Sugi Predict

Sugi Predict / Compounds / SCHEMBL5100378

SCHEMBL5100378

SCHEMBL5100378

Clc1ccccc1Oc1ncc2c(-c3ccccc3Cl)n[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 2/20 0.35

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
SCHEMBL5097291 0.91 MAPK14 (0.46) MAPK14GSK3AGSK3BMAPK11
SCHEMBL5107082 0.91 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL5093844 0.88 MAPK14 (0.38) MAPK14ALDH1A1GSK3AGSK3BKMT2A
SCHEMBL5097314 0.88 NPC1 (0.39) MAPK14ALDH1A1DCUN1D1GSK3AGSK3B
SCHEMBL4014215 0.87 MAPK14 (0.58) MAPK14GSK3AGSK3BMAPK11
SCHEMBL5106221 0.86 MAPK14 (0.40) MAPK14ALDH1A1HTTGSK3AGSK3B
SCHEMBL14015034 0.85 MAPK14 (0.45) MAPK14ALDH1A1HTTTP53CYP1A2
SCHEMBL5106271 0.83 NPSR1 (0.40) ALDH1A1HTTDCUN1D1GSK3AGSK3B
SCHEMBL5093838 0.83 BTK (0.38) MAPK14DCUN1D1GSK3AGSK3BNPC1
SCHEMBL5097174 0.83 MAPK8 (0.42) ALDH1A1GSK3AGSK3BCYP1A2ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 — — US claimed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 — — EP claimed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 — — WO claimed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 — — US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 — — US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 — — US disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 — — 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 (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-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 MAPK14 48/4885ALDH1A1 2726/4885HTT 4538/4885

“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.