SCHEMBL29908263

SCHEMBL29908263

Cc1ccc(C(N)c2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
AKT2 P31751 1/20 0.38
ROCK1 Q13464 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2C P18825 2/20 0.35
P2RX7 Q99572 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRA2B P18089 1/20 0.35
SCN4A P35499 1/20 0.35

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
SCHEMBL22927815 1.00 DPP4 (0.38) DPP4F2AKT2ROCK1ADRA2A
SCHEMBL12851473 0.80 CYP1A2 (0.42) ROCK1CYP1A2LMNAKDM4E
SCHEMBL11542035 0.80 SLC6A2 (0.55) P2RX7CYP1A2CYP2A6LMNA
Hydrochloric Acid SCHEMBL4527621 0.79 CYP1A2 (0.41) ROCK1CYP1A2LMNAKDM4E
SCHEMBL14511065 0.77 SMN1; SMN2 (0.58) P2RX7LMNAKDM4E
SCHEMBL3386704 0.77 AKT2 (0.41) DPP4F2AKT2ADRA2AADRA2C
SCHEMBL3382818 0.77 CYP3A4 (0.42) DPP4F2AKT2
SCHEMBL14808807 0.77 DPP4 (0.38) DPP4F2AKT2SCN4A
SCHEMBL3382791 0.77 KDM1A (0.40) DPP4F2AKT2
SCHEMBL11478580 0.76 DPP4 (0.61) DPP4F2ADRA2AADRA2CLMNA

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-20220289728-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS INC (US) 2022-09-15 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-20220289728-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 DPP4 2555/4885F2 4729/4885AKT2 3914/4885

“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.