SCHEMBL21922040

SCHEMBL21922040

COc1ccc(NCc2ccccc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
HPGD P15428 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 3/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RECQL P46063 1/20 0.52
ENPP2 Q13822 2/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
FABP1 P07148 1/20 0.47
FABP6 P51161 1/20 0.47
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2D6 P10635 3/20 0.46

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
SCHEMBL1854220 0.79 MAPT (0.59) MAPTMEN1HPGDKMT2AMAPK1
SCHEMBL18809821 0.78 HDAC1 (0.57) MEN1HPGDKMT2AMAPK1HTT
SCHEMBL22190875 0.75 MAPT (0.64) MAPTMEN1HPGDKMT2AMAPK1
SCHEMBL3002504 0.75 MAPT (0.55) MAPTMEN1HPGDKMT2AMAPK1
SCHEMBL3115051 0.74 KDM4E (0.40) MAPTMEN1HPGDKMT2AMAPK1
SCHEMBL22919180 0.74 LMNA (0.41) MAPTMEN1HPGDKMT2AMAPK1
SCHEMBL1753019 0.74 NPC1 (0.86) MAPTMEN1HPGDKMT2AMAPK1
SCHEMBL15952526 0.74 HTT (0.82) MAPTMEN1HPGDKMT2AHTT
SCHEMBL4250052 0.73 KMT2A (0.59) MAPTMEN1HPGDKMT2AHTT
SCHEMBL15293590 0.72 TGM2 (0.51) MAPTLMNANPC1RAB9AENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873472-B1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-20200131151-A1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-30 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-20200131151-A1 NOVEL PYRIDAZINES ENPP2, PLPBP, PRDX6 MAPT 354/4885MEN1 2373/4885HPGD 2051/4885

“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.