SCHEMBL1048147

SCHEMBL1048147

CN1CCN(c2ccc(C(F)(F)F)cc2N)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 4/20 0.68
LMNA P02545 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.64
POLB P06746 1/20 0.59
PKM P14618 1/20 0.54
HSD17B10 Q99714 2/20 0.54
ADRA2C P18825 1/20 0.53
HRH4 Q9H3N8 5/20 0.50
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
PTK2B Q14289 1/20 0.49
SRPK1 Q96SB4 1/20 0.48
RAD52 P43351 1/20 0.47
HTR1A P08908 4/20 0.45
DRD2 P14416 3/20 0.45
HTR2A P28223 3/20 0.45

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
SCHEMBL28338201 0.92 ALDH1A1 (0.78) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL330331 0.85 ALDH1A1 (0.73) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL5494223 0.85 ALDH1A1 (0.73) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL30063002 0.84 ALDH1A1 (0.64) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL4445185 0.84 ALDH1A1 (0.64) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL1110554 0.83 ALDH1A1 (0.71) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL1110503 0.83 ALDH1A1 (0.71) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL1110535 0.83 ALDH1A1 (0.71) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL997022 0.83 ALDH1A1 (0.71) KDM4EALDH1A1LMNAL3MBTL1POLB
SCHEMBL24970194 0.82 KDM4E (0.57) KDM4EALDH1A1LMNAL3MBTL1POLB

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842955-B1 TRK-INHIBITING COMPOUND ONO PHARMACEUTICAL CO (JP) 2016-10-05 EP disclosed
US-9242977-B2 Trk-inhibiting compound ONO PHARMACEUTICAL CO., LTD. (JP) 2016-01-26 US disclosed
US-20150111865-A1 Trk-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-23 US disclosed
EP-2842955-A1 Trk-INHIBITING COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2015-03-04 EP disclosed
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
EP-1751136-B1 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC (US) 2014-07-02 EP disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
US-8476434-B2 Protein kinase modulators and method of use AMGEN INC. (US) 2013-07-02 US disclosed
EP-2269993-A1 2-AMINOQUINAZOLINE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2011-01-05 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
EP-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP disclosed
US-20060009453-A1 Protein kinase modulators and method of use AMGEN INC. 2006-01-12 US disclosed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 WO 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 (4 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 KDM4E 1696/4885ALDH1A1 870/4885LMNA 1665/4885
US-20060009453-A1 Protein kinase modulators and method of use PHKG1, PRKCH, BMP2K KDM4E 857/4885ALDH1A1 4013/4885LMNA 3974/4885
US-20150111865-A1 Trk-INHIBITING COMPOUND LTK, ROR1, TEC KDM4E 2809/4885ALDH1A1 2591/4885LMNA 3367/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 KDM4E 1444/4885ALDH1A1 1563/4885LMNA 1675/4885

“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.