SCHEMBL3614904

SCHEMBL3614904

c1ccc(COc2ccn3nnnc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 1/20 0.47
ALOX5 P09917 1/20 0.45
MAOB P27338 5/20 0.43
CYP3A4 P08684 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
BCHE P06276 1/20 0.41
EPHB3 P54753 1/20 0.40
MAOA P21397 1/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL1192458 0.78 EGLN2 (0.48) LMNASMN1; SMN2MAPK14ALOX5MAOB
SCHEMBL13257479 0.73 MAPK14 (0.47) LMNAMAPK14ALOX5MAOBCYP3A4
SCHEMBL1192301 0.73 MAPK14 (0.47) LMNAALDH1A1MAPK14ALOX5MAOB
SCHEMBL15173034 0.73 PDE10A (0.46) MAPK14ALOX5MAOBCYP3A4NR4A2
SCHEMBL31487829 0.73 MAPK14 (0.49) LMNAMAPK14ALOX5MAOBCYP3A4
SCHEMBL3484532 0.73 MAPK14 (0.49) LMNAMAPK14ALOX5MAOBCYP3A4
SCHEMBL16100042 0.72 MAOB (0.49) MAPK14ALOX5MAOBCYP3A4CYP4F2
SCHEMBL20049570 0.70 MEN1 (0.47) MAPK14ALOX5MAOBCYP3A4CYP4F2
SCHEMBL31393864 0.70 MAPK14 (0.46) LMNAMAPK14ALOX5MAOBCYP3A4
SCHEMBL1962901 0.69 MAOB (0.43) LMNAALDH1A1SMN1; SMN2ALOX5MAOB

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-20240116921-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2024-04-11 US disclosed
EP-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 EP disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
US-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS DONSBACH, MARTIN (DE) 2010-07-01 US disclosed
EP-2137185-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS Gmeiner, Dr. Peter (DE) 2009-12-30 EP disclosed
WO-2008113559-A2 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS SCHWARZ PHARMA AG (DE) 2008-09-25 WO disclosed
EP-1972628-A1 Indolizines and aza-analog derivatives thereof as CNS active compounds SCHWARZ PHARMA AG (DE) 2008-09-24 EP 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-20100168125-A1 INDOLIZINES AND AZA-ANALOG DERIVATIVES THEREOF AS CNS ACTIVE COMPOUNDS INMT, AANAT, AZI2 LMNA 4009/4885ALDH1A1 720/4885SMN1; SMN2 2740/4885
US-20240116921-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, FGFR2, ERBB3 LMNA 4739/4885ALDH1A1 1766/4885SMN1; SMN2 1517/4885

“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.