SCHEMBL4369145

SCHEMBL4369145

CN1CCN(Cc2cc(N=C=S)ccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHKA P35790 1/20 0.42
METAP2 P50579 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ABL1 P00519 1/20 0.40
MC4R P32245 1/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
LMNA P02545 1/20 0.38
NR1H2 P55055 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL13861945 0.87 MAPT (0.44) ALDH1A1KDM4EPOLBTDP1METAP2
SCHEMBL4367235 0.86 SIGMAR1 (0.36) ALDH1A1KDM4EPOLBTDP1SIGMAR1
SCHEMBL13861939 0.86 SOS1 (0.39) ALDH1A1KDM4ETDP1SIGMAR1LMNA
SCHEMBL13861944 0.84 CYP2A13 (0.52) ALDH1A1KDM4ETDP1METAP2SIGMAR1
SCHEMBL13861952 0.84 NPSR1 (0.43) ALDH1A1KDM4ELMNAMAPK1NPSR1
SCHEMBL5002886 0.80 LMNA (0.56) ALDH1A1KDM4ECHKAMC4RLMNA
SCHEMBL13861950 0.78 VEGFA (0.49) ALDH1A1POLBMAPTMAPK1NPSR1
SCHEMBL24567267 0.78 NR1H2 (0.61) ALDH1A1KDM4EPOLBABL1NR1H2
SCHEMBL4369101 0.77 KDM4E (0.37) ALDH1A1KDM4ETDP1CYP1A2CYP2D6
SCHEMBL4297559 0.74 LMNA (0.60) ALDH1A1KDM4EPOLBTDP1CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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 (1 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS ALDH1A1 255/4885KDM4E 2631/4885POLB 1081/4885

“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.