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Sugi Predict / Compounds / SCHEMBL116582

SCHEMBL116582

SCHEMBL116582

Nc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ C5AR1 P21730 1/20 0.57
▸ GAA P10253 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ DHFR P00374 1/20 0.55
▸ CLPP Q16740 7/20 0.53
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ PNMT P11086 1/20 0.49

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
SCHEMBL29888556 0.89 KMT2A (0.55) KMT2AMEN1C5AR1GAAKDM4E
SCHEMBL10036330 0.89 KMT2A (0.55) KMT2AMEN1C5AR1GAAKDM4E
SCHEMBL416164 0.86 C5AR1 (0.70) KMT2AMEN1C5AR1GAAKDM4E
SCHEMBL15189144 0.85 KMT2A (0.63) KMT2AMEN1C5AR1GAAKDM4E
Hydrochloric Acid SCHEMBL4316740 0.85 C5AR1 (0.69) KMT2AMEN1C5AR1GAAKDM4E
SCHEMBL115476 0.83 KMT2A (0.57) KMT2AMEN1C5AR1GAAKDM4E
SCHEMBL23413091 0.81 C5AR1 (0.67) KMT2AMEN1C5AR1GAAKDM4E
SCHEMBL29888597 0.81 C5AR1 (0.67) KMT2AMEN1C5AR1GAAKDM4E
SCHEMBL12973480 0.81 C5AR1 (0.57) KMT2AMEN1C5AR1GAAKDM4E
SCHEMBL10833371 0.79 MEN1 (0.62) KMT2AMEN1C5AR1GAADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2812331-B1 PIPERIDINO-PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-01-02 — — EP disclosed
US-9365571-B2 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-06-14 — — US disclosed
US-9365571-B2 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2016-06-14 — — US disclosed
US-20150336955-A1 PIPERIDINO-PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2015-11-26 — — US disclosed
US-20150336955-A1 PIPERIDINO-PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2015-11-26 — — US disclosed
US-9133192-B2 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IL) 2015-09-15 — — US disclosed
US-9133192-B2 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IL) 2015-09-15 — — US disclosed
US-20140350031-A1 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2014-11-27 — — US disclosed
US-20140350031-A1 Piperidino-pyrimidine derivatives for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2014-11-27 — — US disclosed
EP-2424532-B1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-09-24 — — EP disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 — — US disclosed
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS PFIZER INC. 2010-04-15 — — US disclosed
WO-2008096218-A1 2-AMIN0-5, 7-DIHYDR0-6H- PYRROLO [3, 4-D] PYRIMIDINE DERIVATIVES AS HSP-90 INHIBITORS FOR TREATING CANCER PFIZER INC. (US) 2008-08-14 — — WO disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 — — EP disclosed
US-20050209261-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-22 — — US disclosed
US-6943172-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-13 — — US disclosed
US-20050192304-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2005-09-01 — — US disclosed
US-6924290-B2 Rho-kinase inhibitors BAYER PHARMACEUTICALS CORPORATION (US) 2005-08-02 — — US disclosed
US-20040002507-A1 Rho-kinase inhibitors BAYER CORPORATION (US) 2004-01-01 — — US disclosed
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders BAYER CORPORATION 2004-01-01 — — 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 (7 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-20040002507-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 KMT2A 3704/4885MEN1 2099/4885C5AR1 3391/4885
US-20140350031-A1 Piperidino-pyrimidine derivatives for the treatment of viral infections DPYD, TYMP, UMPS KMT2A 1143/4885MEN1 4014/4885C5AR1 2638/4885
US-20050209261-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 KMT2A 3704/4885MEN1 2099/4885C5AR1 3391/4885
US-20040002508-A1 Antitumor agents; anticancer agents; sexual disorders; cardiovascular disorders CIT, ROCK1, RHOT2 KMT2A 2935/4885MEN1 1105/4885C5AR1 3931/4885
US-20100093696-A1 2-AMINO PYRIMIDINE COMPOUNDS HSP90AB2P, HSP90AB1, HSP90AA1 KMT2A 1995/4885MEN1 4730/4885C5AR1 4735/4885
US-20050192304-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 KMT2A 3704/4885MEN1 2099/4885C5AR1 3391/4885
US-20150336955-A1 PIPERIDINO-PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS TYMP, TYMS, UMPS KMT2A 1559/4885MEN1 4554/4885C5AR1 2399/4885

“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.