SCHEMBL3597965

SCHEMBL3597965

O=C(C=Cc1ccccc1O)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.72
ALDH1A1 P00352 2/20 0.72
LMNA P02545 2/20 0.72
KMT2A Q03164 2/20 0.72
HPGD P15428 1/20 0.72
CYP1A1 P04798 8/20 0.67
CYP1A2 P05177 8/20 0.67
CYP1B1 Q16678 8/20 0.67
CYP3A4 P08684 5/20 0.67
CYP2D6 P10635 5/20 0.67
APP P05067 1/20 0.62
GSK3B P49841 1/20 0.62
KDM4E B2RXH2 2/20 0.59
PKM P14618 1/20 0.59
MAPK1 P28482 1/20 0.57
CAPN1 P07384 1/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
BCHE P06276 1/20 0.55
GUSB P08236 1/20 0.55

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
SCHEMBL3597959 1.00 MAPT (0.72) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL196922 0.84 MAPT (1.00) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL196923 0.84 MAPT (1.00) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL9567804 0.84 MAPT (0.70) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL3598076 0.83 APP (0.64) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL3598073 0.83 APP (0.64) MAPTALDH1A1LMNAKMT2AHPGD
SCHEMBL10893208 0.82 MAPT (0.75) MAPTLMNAKMT2ACYP1B1CYP3A4
SCHEMBL29420130 0.82 MAPT (0.75) MAPTLMNAKMT2ACYP1B1CYP3A4
SCHEMBL626787 0.82 MAPT (0.75) MAPTLMNAKMT2ACYP1B1CYP3A4
SCHEMBL626785 0.82 MAPT (0.75) MAPTLMNAKMT2ACYP1B1CYP3A4

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-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 US disclosed
EP-2125778-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 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-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 MAPT 2375/4885ALDH1A1 3584/4885LMNA 2987/4885

“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.