SCHEMBL12464307

SCHEMBL12464307

CCOCC1(C)CCN(CCO)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HRH1 P35367 1/20 0.33
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL12589181 0.81 PIM1 (0.38) PIM1PIM2MEN1KMT2AALDH1A1
SCHEMBL12464308 0.81 OPRM1 (0.35) KDM4EGAA
SCHEMBL15806845 0.81 HRH1 (0.34) KDM4EHRH1
SCHEMBL12464309 0.79 OPRM1 (0.34)
SCHEMBL12464686 0.79 OPRM1 (0.33)
SCHEMBL12395729 0.77 PIM1 (0.34) PIM1PIM2MEN1KMT2AALDH1A1
SCHEMBL12555765 0.77 PIM1 (0.34) PIM1PIM2MEN1KMT2AALDH1A1
SCHEMBL12633296 0.77 ALDH1A1 (0.40) PIM1PIM2MEN1KMT2AALDH1A1
SCHEMBL16079858 0.73
SCHEMBL21527167 0.73 KDM4E (0.34) MEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B PIM1 256/4885PIM2 589/4885MEN1 738/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B PIM1 256/4885PIM2 589/4885MEN1 738/4885

“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.