Sugi Predict

Sugi Predict / Compounds / SCHEMBL15032373

SCHEMBL15032373

SCHEMBL15032373

CC(C)(C)OC(=O)N1C2CCC1CC1(CC(=O)N(c3ccc([N+](=O)[O-])nc3)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ MAPT P10636 6/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL2298636 0.86 CHRM2 (0.39) GPR119HSD11B1CHRM2CHRM1CHRM3
SCHEMBL2299580 0.86 CHRNB2 (0.40) MAPTRAB9ASMN1; SMN2CDK4CHRNB2
SCHEMBL2299587 0.86 CHRNB2 (0.40) MAPTRAB9ASMN1; SMN2CDK4CHRNB2
SCHEMBL12426800 0.83 CDK4 (0.40) GPR119HSD11B1MAPTCHRM2CHRM1
SCHEMBL2302516 0.83 MAPT (0.45) GPR119MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2302659 0.82 HSD11B1 (0.44) GPR119HSD11B1MAPTCHRM2CHRM1
SCHEMBL2299688 0.82 HSD11B1 (0.44) GPR119HSD11B1MAPTCHRM2CHRM1
SCHEMBL15011765 0.82 HSD11B1 (0.44) GPR119HSD11B1MAPTCHRM2CHRM1
SCHEMBL2305824 0.82 HSD11B1 (0.44) GPR119HSD11B1MAPTCHRM2CHRM1
SCHEMBL2302595 0.79 MAPT (0.54) GPR119HSD11B1MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 — — US disclosed
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 — — US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 — — US disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 — — US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 — — US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 — — US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 — — US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 — — 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-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 GPR119 2637/4885HSD11B1 2450/4885MAPT 4000/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 GPR119 2573/4885HSD11B1 2556/4885MAPT 3975/4885

“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.