SCHEMBL20985607

SCHEMBL20985607

CN(c1ccccc1)n1nccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
SLC6A2 P23975 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
MGLL Q99685 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL1836277 0.72 TSHR (0.38) KMT2AMEN1HTTSLC6A2KDM4E
SCHEMBL10600951 0.68 CYP19A1 (0.45) KMT2AMEN1HTTCYP19A1TAAR1
SCHEMBL6599022 0.67 CYP19A1 (0.39) KMT2AMEN1HTTSLC6A2KDM4E
SCHEMBL24937734 0.66 KDM4E (0.50) KMT2AKDM4ETSHRFAAHPHGDH
SCHEMBL4086997 0.66 SLC6A2 (0.42) HTTSLC6A2KDM4ETAAR1CYP3A4
Hydrochloric Acid SCHEMBL15546092 0.64 ALDH1A1 (0.59) KMT2AMEN1HTTKDM4ECYP3A4
SCHEMBL3122245 0.64 KMT2A (0.48) KMT2AMEN1HTTKDM4ETSHR
Hydrochloric Acid SCHEMBL30327422 0.64 ALDH1A1 (0.59) KMT2AMEN1HTTKDM4ECYP3A4
Hydrochloric Acid SCHEMBL6427969 0.64 ALDH1A1 (0.59) KMT2AMEN1HTTKDM4ECYP3A4
Hydrochloric Acid SCHEMBL11204551 0.64 CHKA (0.48) KMT2AMEN1HTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 KMT2A 4081/4885MEN1 2566/4885HTT 245/4885

“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.