Sugi Predict

Sugi Predict / Compounds / SCHEMBL10095237

SCHEMBL10095237

SCHEMBL10095237

CN1CCc2[nH]nc(I)c2C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.68
▸ CHRNA7 P36544 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31

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
SCHEMBL12363770 0.79 CYP2C19 (0.70) CYP2C19CHRNA7L3MBTL1USP2CYP1A2
SCHEMBL17229682 0.78 CYP2C19 (0.68) CYP2C19CHRNA7L3MBTL1USP2CYP1A2
SCHEMBL19454323 0.77 CYP2C19 (0.41) CYP2C19L3MBTL1CHRM3ALDH1A1BRD4
SCHEMBL1423862 0.77 CYP2C19 (0.62) CYP2C19CHRNA7L3MBTL1USP2CYP1A2
SCHEMBL25428180 0.74 CYP2C19 (0.62) CYP2C19CHRNA7L3MBTL1USP2CYP1A2
SCHEMBL17221260 0.74 CYP2C19 (0.62) CYP2C19CHRNA7L3MBTL1USP2CYP1A2
SCHEMBL30128141 0.73 CYP2C19 (0.60) CYP2C19
SCHEMBL20818349 0.73 CREBBP (0.44) CYP2C19MAPK1BRD4EP300CREBBP
SCHEMBL10095277 0.70 CYP2C19 (0.71) CYP2C19CHRNA7CYP2C9LMNAMAPK1
SCHEMBL17229730 0.70 CYP2C19 (0.57) CYP2C19CHRNA7L3MBTL1USP2CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291902-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2017-10-12 — — US disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 — — US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 — — 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 (3 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-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK CYP2C19 696/4885CHRNA7 4621/4885L3MBTL1 4206/4885
US-20170291902-A1 sGC STIMULATORS GUCY1B1, GUCY1A1, PRKG1 CYP2C19 1135/4885CHRNA7 2234/4885L3MBTL1 4736/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK CYP2C19 696/4885CHRNA7 4621/4885L3MBTL1 4206/4885

“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.