SCHEMBL21707007

SCHEMBL21707007

COC(=O)c1c(C)nc(Cl)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PKMYT1 Q99640 3/20 0.47
PTK2 Q05397 2/20 0.47
INSR P06213 1/20 0.47
IGF1R P08069 1/20 0.47
PTK2B Q14289 1/20 0.47
SLC2A1 P11166 1/20 0.46
TP53 P04637 1/20 0.46
SYK P43405 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CCNK O75909 1/20 0.45
CCNA2 P20248 1/20 0.45

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
SCHEMBL25401906 0.81 MEN1 (0.48) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL17054935 0.79 MAPT (0.51) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL21707239 0.79 HPGD (0.49) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL21707008 0.77 BTK (0.46) SYK
SCHEMBL21707090 0.76 JAK3 (0.46) MAPK1
SCHEMBL30206048 0.76 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL29173619 0.76 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL29173484 0.75 PTK2 (0.46) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL30206096 0.75 PTK2 (0.46) MAPTSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL29173638 0.75 PTK2 (0.46) MAPTSMN1; SMN2MEN1KMT2AMAPK1

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
US-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-11-16 US disclosed
US-20200048248-A1 ANILINE-SUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-02-13 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 (2 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-20200048248-A1 ANILINE-SUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE THEREOF DPYD, ACR, QDPR MAPT 2338/4885SMN1; SMN2 1096/4885MEN1 2383/4885
US-11174254-B2 Aniline-substituted 1,2-dihydropyrrol[3,4-C]pyridin/pyrimidin-3-one derivative and use thereof DPYD, ACR, QDPR MAPT 2338/4885SMN1; SMN2 1096/4885MEN1 2383/4885

“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.