SCHEMBL2443380

SCHEMBL2443380

CC(C)(C)[Si](C)(C)O[C@@H]1Cc2ccccc2[C@H]1N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.36
▸ SIGMAR1 Q99720 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ THRB P10828 1/20 0.31
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ IDO1 P14902 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
SCHEMBL3527656 1.00 KDM1A (0.36) KDM1ASIGMAR1HTR2ATHRBGRIN2D
SCHEMBL3527654 0.79 ALDH1A1 (0.33) IDO1
SCHEMBL17539096 0.75 TOP2A (0.36) KDM1ASIGMAR1HTR2AIDO1
SCHEMBL9054568 0.75 SIGMAR1 (0.31) SIGMAR1THRB
SCHEMBL2805938 0.75 KDM1A (0.43) KDM1ASIGMAR1HTR2AGRIN2DGRIN3B
SCHEMBL192387 0.75 KDM1A (0.43) KDM1ASIGMAR1HTR2AGRIN2DGRIN3B
SCHEMBL18761525 0.75 KDM1A (0.43) KDM1ASIGMAR1HTR2AGRIN2DGRIN3B
SCHEMBL30327609 0.75 KDM1A (0.43) KDM1ASIGMAR1HTR2AGRIN2DGRIN3B
SCHEMBL191836 0.75 KDM1A (0.43) KDM1ASIGMAR1HTR2AGRIN2DGRIN3B
SCHEMBL4199129 0.75 KDM1A (0.43) KDM1ASIGMAR1HTR2AGRIN2DGRIN3B

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
EP-2483249-B1 PYRIMIDINE DERIVATIVES AS PROTEIN TYROSINE KINASE 2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-12-23 — — EP disclosed
EP-2483249-B1 PYRIMIDINE DERIVATIVES AS PROTEIN TYROSINE KINASE 2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-12-23 — — EP disclosed
US-8466155-B2 Pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 — — US disclosed
US-8466155-B2 Pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 — — US disclosed
US-8466155-B2 Pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 — — US disclosed
US-20110237598-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 — — US disclosed
US-20110237598-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-29 — — 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 (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-20110237598-A1 NEW COMPOUNDS CCNA1, MKI67, CCNE1 KDM1A 1912/4885SIGMAR1 1008/4885HTR2A 1797/4885

“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.

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