SCHEMBL894516

SCHEMBL894516

CCS(=O)(=O)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL323522 1.00 KDM4E (0.50) KDM4EKMT2APOLBMAPTNPSR1
Hydrochloric Acid SCHEMBL999646 0.97 KDM4E (0.48) KDM4EKMT2APOLBMAPTNPSR1
Hydrochloric Acid SCHEMBL2590541 0.89 KDM4E (0.52) KDM4EKMT2APOLBMAPTNPSR1
SCHEMBL190917 0.86 L3MBTL1 (0.45) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL31711454 0.84 L3MBTL1 (0.44) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL999877 0.84 L3MBTL1 (0.44) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL4073047 0.83 KMT2A (0.41) KDM4EKMT2AMAPTL3MBTL1ALDH1A1
Pyridine SCHEMBL28140811 0.82 KMT2A (0.49) KDM4EKMT2AMAPTNPSR1ALDH1A1
SCHEMBL962030 0.81 KMT2A (0.44) KDM4EKMT2APOLBMAPTALDH1A1
SCHEMBL3107942 0.81 GNAI3 (0.41) KDM4EKMT2AMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 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 (5 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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC KDM4E 2460/4885KMT2A 1814/4885POLB 1986/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC KDM4E 2460/4885KMT2A 1814/4885POLB 1986/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC KDM4E 2460/4885KMT2A 1814/4885POLB 1986/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC KDM4E 2460/4885KMT2A 1814/4885POLB 1986/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC KDM4E 2460/4885KMT2A 1814/4885POLB 1986/4885

“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.