SCHEMBL15434656

SCHEMBL15434656

Cc1nc(N)nc(C)c1C(C)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.34
HPGD P15428 2/20 0.34
NUDT1 P36639 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOS2 P35228 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL9287299 0.85 KDM4E (0.34) KDM4EALDH1A1LMNA
SCHEMBL15434679 0.82 HEXA (0.37) KDM4EALDH1A1LMNACYP1A2NUDT1
SCHEMBL15429583 0.82 ALDH1A1 (0.31) KDM4EALDH1A1LMNAHPGD
SCHEMBL9286483 0.79 KDM4E (0.42) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL8637167 0.75 KDM4E (0.34) KDM4EALDH1A1LMNACYP1A2HPGD
SCHEMBL3393860 0.73 ADORA2A (0.38) LMNA
Isopropyl Alcohol SCHEMBL9446136 0.72 LMNA (0.46) KDM4EALDH1A1LMNACYP1A2NOS2
Isopropyl Alcohol SCHEMBL9562856 0.72 LMNA (0.46) KDM4EALDH1A1LMNACYP1A2NOS2
Isopropyl Alcohol SCHEMBL9446138 0.72 LMNA (0.46) KDM4EALDH1A1LMNACYP1A2NOS2
SCHEMBL15429599 0.71 KDM4E (0.36) KDM4EALDH1A1LMNACYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE RICE KENNETH D (US) 2014-03-13 US disclosed
US-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2014-01-16 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-20140018347-A1 BENZOXAZEPINES AS INHIBITORS OF mTOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RICTOR, RPTOR KDM4E 223/4885ALDH1A1 3330/4885LMNA 2517/4885
US-20140073628-A1 BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE MTOR, RPTOR, RICTOR KDM4E 567/4885ALDH1A1 4794/4885LMNA 1274/4885

“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.