SCHEMBL6621703

SCHEMBL6621703

COc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ TACR3 P29371 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ ALPL P05186 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ PLAAT3 P53816 1/20 0.40
▸ PLAAT5 Q96KN8 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
SCHEMBL6613264 0.88 HPGD (0.44) ALDH1A1MEN1KMT2ARAB9ALMNA
SCHEMBL6616704 0.86 KDM4E (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL6615757 0.85 KDM4C (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL6616043 0.84 MAPT (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL6617903 0.82 PKM (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL6617950 0.81 LMNA (0.47) ALDH1A1SMN1; SMN2CYP3A4CYP2D6MEN1
SCHEMBL6613429 0.81 NPC1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL6616467 0.80 L3MBTL1 (0.40) ALDH1A1SMN1; SMN2CYP2D6MEN1KMT2A
SCHEMBL6620003 0.80 RAB9A (0.39) ALDH1A1SMN1; SMN2CYP3A4CYP2D6MEN1
SCHEMBL6617970 0.80 PRCP (0.44) ALDH1A1SMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010027-A1 Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them PHARMACIA & UPJOHN SPA (IT) 2004-01-15 — — US claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
US-20040010027-A1 Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them PHARMACIA & UPJOHN SPA (IT) 2004-01-15 — — US disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — 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-20040010027-A1 Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them CNKSR1, CSNK1A1, CDK6 ALDH1A1 3793/4885SMN1; SMN2 2142/4885CYP3A4 1622/4885

“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.

Send feedback