SCHEMBL22190875

SCHEMBL22190875

Clc1ccc(NCc2ccccc2)nn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
MAPK1 P28482 3/20 0.64
MEN1 O00255 2/20 0.64
HPGD P15428 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 1/20 0.64
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
VNN1 O95497 1/20 0.51
FABP1 P07148 1/20 0.50
FABP6 P51161 1/20 0.50
GAA P10253 2/20 0.47
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP1A2 P05177 2/20 0.44

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
SCHEMBL3971763 0.86 MAPT (0.50) MAPTMAPK1MEN1HPGDKMT2A
SCHEMBL16110725 0.82 ALDH1A1 (0.51) MAPTMAPK1MEN1HPGDKMT2A
SCHEMBL22191121 0.82 ALDH1A1 (0.49) MAPTMAPK1MEN1HPGDKMT2A
SCHEMBL8055544 0.80 MAPT (0.45) MAPTMAPK1MEN1HPGDKMT2A
SCHEMBL3002504 0.78 MAPT (0.55) MAPTMAPK1MEN1HPGDKMT2A
SCHEMBL1854220 0.78 MAPT (0.59) MAPTMAPK1MEN1HPGDKMT2A
SCHEMBL3980734 0.77 ALDH1A1 (0.46) MAPTMAPK1MEN1HPGDKMT2A
SCHEMBL22654857 0.76 KDM4E (0.55) MEN1HPGDKMT2AKDM4EALDH1A1
SCHEMBL29565833 0.76 KDM4E (0.55) MEN1HPGDKMT2AKDM4EALDH1A1
SCHEMBL21922040 0.75 MAPT (0.53) MAPTMAPK1MEN1HPGDKMT2A

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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 US disclosed
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 CN disclosed
WO-2020142486-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 MAPT 1414/4885MAPK1 121/4885MEN1 1767/4885

“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.