SCHEMBL22145366

SCHEMBL22145366

CCc1cccc(CC)c1NC(=O)c1cnc(Cl)nc1N(C)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SYK P43405 1/20 0.41
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CHRNA7 P36544 1/20 0.39
JUN P05412 3/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
CFTR P13569 1/20 0.39
XPO1 O14980 1/20 0.38
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL20558241 0.87 CHRNA7 (0.44) CHRNA7JUNNFKB1NFKB2RELA
SCHEMBL20558385 0.87 RXFP1 (0.46) CHRNA7JUNNFKB1NFKB2RELA
SCHEMBL22145529 0.83 KMT2A (0.44) MEN1KMT2ASMN1; SMN2JUNNFKB1
SCHEMBL22145365 0.83 NFKB1 (0.48) HTTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27208466 0.82 CHRNA7 (0.41) HTTALDH1A1HSD17B10ALOX15HPGD
SCHEMBL20558390 0.81 XPO1 (0.58) HTTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL30962876 0.77 JUN (0.45) HTTMEN1KMT2ASMN1; SMN2SYK
SCHEMBL20558359 0.76 RXFP1 (0.43) ALDH1A1CHRNA7JUNNFKB1NFKB2
SCHEMBL31737724 0.76 PDE4D (0.42) CHRNA7
SCHEMBL22145361 0.76 RXFP1 (0.39) MEN1KMT2AKDM4EALDH1A1SYK

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-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 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-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK HTT 1510/4885MEN1 1692/4885KMT2A 1861/4885
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT BTK, SYK, LCK HTT 1510/4885MEN1 1692/4885KMT2A 1861/4885

“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.