SCHEMBL959286

SCHEMBL959286

Cc1ccnc(-n2nc(C)cc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 3/20 0.51
MAPK10 P53779 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.47
UHRF1 Q96T88 1/20 0.47
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
TSHR P16473 2/20 0.46
UBE2T Q9NPD8 1/20 0.45
KDM4E B2RXH2 2/20 0.45
KDM5A P29375 2/20 0.43
KDM4C Q9H3R0 2/20 0.43

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
SCHEMBL15764340 0.84 CCR1 (0.52) ALDH1A1LMNAMAPK10SMN1; SMN2CASP3
SCHEMBL3461571 0.78 MAPT (0.56) ALDH1A1LMNAMAPK10SMN1; SMN2PKM
SCHEMBL46302 0.74 UBE2T (0.60) ALDH1A1LMNAMAPK10SMN1; SMN2CASP3
SCHEMBL29577243 0.74 SMN1; SMN2 (0.50) ALDH1A1LMNAMAPK10SMN1; SMN2CASP3
SCHEMBL28729454 0.74 SMN1; SMN2 (0.50) ALDH1A1LMNAMAPK10SMN1; SMN2CASP3
SCHEMBL19100367 0.74 MAPT (0.51) ALDH1A1LMNAMAPK10SMN1; SMN2CASP3
SCHEMBL15886685 0.73 SMN1; SMN2 (0.62) ALDH1A1LMNAMAPK10SMN1; SMN2CASP3
SCHEMBL27681222 0.73 IRAK4 (0.47) ALDH1A1LMNAMAPK10SMN1; SMN2CASP3
SCHEMBL31667857 0.73 CCR1 (0.45) ALDH1A1LMNASMN1; SMN2PKMMAPT
SCHEMBL6619720 0.72 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678346-B9 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2018-08-08 EP disclosed
US-10038150-B2 Metal complexes for use as dopants and other uses ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2018-07-31 US disclosed
EP-2678346-B1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FED LAUSANNE EPFL (CH) 2018-04-04 EP disclosed
US-9559321-B2 Metal complexes for use as dopants and other uses ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2017-01-31 US disclosed
US-20160233439-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2016-08-11 US disclosed
EP-2250998-B1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN SHISEIDO CO LTD (JP) 2016-04-13 EP disclosed
CN-103492401-A Metal complexes for use as dopants and other uses ECOLE POLYTECH 2014-01-01 CN disclosed
US-20130330632-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2013-12-12 US disclosed
US-8563552-B2 Whitening agent and skin external preparation SHISEIDO COMPANY LTD. (JP) 2013-10-22 US disclosed
CN-101938988-B Skin whitening agent and external preparation for the skin SHISEIDO CO LTD 2013-06-19 CN disclosed
EP-2212323-B1 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2012-08-15 EP disclosed
US-20110003817-A1 Whitening Agent And Skin External Preparation SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2250998-A1 SKIN WHITENING AGENT AND EXTERNAL PREPARATION FOR THE SKIN Shiseido Company, Ltd. (JP) 2010-11-17 EP disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
US-7579348-B2 Derivatives of 8-substituted xanthines PGXHEALTH, LLC (US) 2009-08-25 US disclosed
US-7579348-B2 Derivatives of 8-substituted xanthines PGXHEALTH, LLC (US) 2009-08-25 US disclosed
WO-2009050183-A2 IMIDAZO [1, 2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2009-04-23 WO disclosed
US-20070249598-A1 Derivatives of 8-substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-10-25 US disclosed
US-20070249598-A1 Derivatives of 8-substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-10-25 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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 ALDH1A1 1069/4885LMNA 1521/4885MAPK10 496/4885
US-10038150-B2 Metal complexes for use as dopants and other uses SOD1, DDT, SOD3 ALDH1A1 3311/4885LMNA 4465/4885MAPK10 2445/4885
US-20110003817-A1 Whitening Agent And Skin External Preparation TYR, MC1R, RTN3 ALDH1A1 1055/4885LMNA 679/4885MAPK10 2374/4885
US-20160233439-A1 METAL COMPLEXES FOR USE AS DOPANTS AND OTHER USES SOD1, DDT, SOD3 ALDH1A1 3311/4885LMNA 4465/4885MAPK10 2445/4885
US-20070249598-A1 Derivatives of 8-substituted xanthines ADORA2B, ADORA2A, ADORA3 ALDH1A1 940/4885LMNA 2265/4885MAPK10 3824/4885

“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.