SCHEMBL24804166

SCHEMBL24804166

c1nc(N2CCC3(CCNC3)CC2)c2cc[nH]c2n1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.67
JAK3 P52333 5/20 0.62
AKT2 P31751 9/20 0.60
GSK3B P49841 6/20 0.60
KIT P10721 1/20 0.60
LCK P06239 1/20 0.55
AKT1 P31749 3/20 0.54
ENPP1 P22413 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
RPS6KB1 P23443 1/20 0.54
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
DOT1L Q8TEK3 1/20 0.52

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
SCHEMBL28379761 0.93 JAK3 (0.61) HTR2CJAK3AKT2GSK3BKIT
SCHEMBL323332 0.84 HTR2C (0.69) HTR2CJAK3AKT2GSK3BKIT
SCHEMBL2251760 0.81 HTR2C (1.00) HTR2CJAK3AKT2GSK3BKIT
SCHEMBL15064231 0.80 JAK3 (0.64) HTR2CJAK3AKT2GSK3BKIT
SCHEMBL7858238 0.80 HTR2C (0.67) HTR2CJAK3AKT2GSK3BKIT
SCHEMBL2019605 0.80 JAK3 (0.70) HTR2CJAK3AKT2GSK3BKIT
Hydrochloric Acid SCHEMBL30012643 0.79 HTR2C (0.97) HTR2CJAK3AKT2GSK3BKIT
Hydrochloric Acid SCHEMBL29036000 0.79 HTR2C (0.97) HTR2CJAK3AKT2GSK3BKIT
Hydrochloric Acid SCHEMBL2794687 0.79 HTR2C (0.97) HTR2CJAK3AKT2GSK3BKIT
Piperazine SCHEMBL7852092 0.79 HTR2C (0.97) HTR2CJAK3AKT2GSK3BKIT

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-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-29 US claimed
US-12060352-B2 Substituted pyrrolo[2,3-d]pyrimidines having ectonucleotide pyrophosphatase-phosphodiesterase inhibitory activity KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2024-08-13 US disclosed
US-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-29 US disclosed
US-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-29 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-20220411420-A1 PYRROLOPYRIMIDINE DERIVATIVE HAVING ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE INHIBITORY ACTIVITY AND USE THEREOF ENPP1, ENPP3, PPA1 HTR2C 4672/4885JAK3 4097/4885AKT2 1623/4885
US-12060352-B2 Substituted pyrrolo[2,3-d]pyrimidines having ectonucleotide pyrophosphatase-phosphodiesterase inhibitory activity ENPP1, CGAS, STING1 HTR2C 3986/4885JAK3 2505/4885AKT2 1357/4885

“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.