SCHEMBL12277249

SCHEMBL12277249

CC(C)c1cn[nH]c1-c1cscn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
METAP1 P53582 4/20 0.35
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
CNR1 P21554 1/20 0.32
TGFBR1 P36897 1/20 0.31
METAP2 P50579 2/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
FKBP1A P62942 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL12320476 0.77 METAP1 (0.44) TSHRALDH1A1METAP1IDO1TDO2
SCHEMBL12277693 0.70 TGFBR1 (0.55) METAP1TGFBR1METAP2KDM4ECYP1A2
SCHEMBL6910076 0.67 PLK1 (0.40) METAP1CNR1ADORA3
SCHEMBL12277788 0.65 RPS6KA3 (0.47) ALDH1A1TGFBR1METAP2KDM4ECYP1A2
SCHEMBL7964249 0.63 TSHR (0.50) TSHRALDH1A1METAP1IDO1TDO2
SCHEMBL20148798 0.62 MAPK14 (0.50) TGFBR1
SCHEMBL20348643 0.61 METAP2 (0.43) TSHRALDH1A1METAP1TGFBR1METAP2
SCHEMBL12354214 0.61
SCHEMBL4546369 0.61 TRPA1 (0.35)
SCHEMBL14220944 0.61 KCNH2 (0.33)

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-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-05-07 US disclosed
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8445503-B2 Inhibitors of polo-like kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-21 US disclosed
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. 2011-09-01 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 TSHR 897/4885ALDH1A1 1889/4885METAP1 4527/4885
US-20110212942-A1 INHIBITORS OF POLO-LIKE KINASE PLK1, POLK, POLR2E TSHR 3303/4885ALDH1A1 4226/4885METAP1 2623/4885
US-20130231335-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E TSHR 3367/4885ALDH1A1 4256/4885METAP1 2715/4885
US-20150126502-A1 INHIBITORS OF POLO-LIKE KINASE POLK, PLK1, POLR2E TSHR 3367/4885ALDH1A1 4256/4885METAP1 2715/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH TSHR 1022/4885ALDH1A1 2361/4885METAP1 4488/4885

“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.