SCHEMBL322678

SCHEMBL322678

Oc1ncnc2c1C(c1ccc(C(F)(F)F)nc1)NCC2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.34
KDM1A O60341 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
KCNH2 Q12809 2/20 0.33
SLC6A3 Q01959 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CETP P11597 1/20 0.31

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
SCHEMBL3063503 0.70 PRCP (0.57) HDAC4KDM1ATRPM8
SCHEMBL18559751 0.68 HRH3 (0.38) HDAC4KDM1ATRPV4TRPM8KCNH2
SCHEMBL19599023 0.65 CHRNB2 (0.49) HDAC4TRPV4KCNH2HRH3
SCHEMBL17525143 0.65 TRPV4 (0.39) HDAC4TRPV4KCNH2SLC6A3TAAR1
SCHEMBL29761449 0.65 TRPV4 (0.39) HDAC4TRPV4KCNH2SLC6A3TAAR1
SCHEMBL24540921 0.65 TRPV4 (0.39) HDAC4TRPV4KCNH2SLC6A3TAAR1
SCHEMBL31512134 0.64 MEN1 (0.50) HDAC4TRPV4HRH3
SCHEMBL23891889 0.64 MEN1 (0.50) HDAC4TRPV4HRH3
SCHEMBL25145866 0.64 HTR2C (0.57) TRPV4KCNH2HRH3
SCHEMBL20757589 0.63 TRPV4 (0.46) HDAC4TRPV4KCNH2SLC6A3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392132-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2020-12-17 US disclosed
US-20190218217-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives as PI3Kdelta inhibitors NOVARTIS AG (CH) 2019-07-18 US disclosed
US-20190040061-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2019-02-07 US disclosed
US-20180265509-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2018-09-20 US disclosed
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US disclosed
US-20170267678-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2017-09-21 US disclosed
US-20170022199-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2017-01-26 US disclosed
US-9499536-B2 Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG (CH) 2016-11-22 US disclosed
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K NOVARTIS AG (CH) 2015-12-03 US disclosed
EP-2790705-A1 USE OF INHIBITORS OF THE ACTIVITY OR FUNCTION OF PI3K Novartis AG (CH) 2014-10-22 EP disclosed
EP-2590974-B1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-05-21 EP disclosed
US-20140128370-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2014-05-08 US disclosed
US-8653092-B2 Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG (CH) 2014-02-18 US disclosed
WO-2013088404-A1 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2013-06-20 WO disclosed
EP-2590974-A1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES Novartis AG (CH) 2013-05-15 EP disclosed
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2012-03-15 US disclosed
WO-2012004299-A1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2012-01-12 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 (9 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-20190040061-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS HDAC4 3456/4885KDM1A 2583/4885TRPV4 4661/4885
US-20170267678-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS HDAC4 3456/4885KDM1A 2583/4885TRPV4 4661/4885
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS HDAC4 3456/4885KDM1A 2583/4885TRPV4 4661/4885
US-20200392132-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS HDAC4 3456/4885KDM1A 2583/4885TRPV4 4661/4885
US-20140128370-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS HDAC4 3456/4885KDM1A 2583/4885TRPV4 4661/4885
US-20190218217-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives as PI3Kdelta inhibitors PIK3CA, PIK3CD, PIK3CB HDAC4 3741/4885KDM1A 2691/4885TRPV4 4730/4885
US-20170022199-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS HDAC4 3456/4885KDM1A 2583/4885TRPV4 4661/4885
US-20150342951-A1 Use of Inhibitors of the Activity or Function of PI3K TLR9, PIK3CD, PIK3R5 HDAC4 416/4885KDM1A 1463/4885TRPV4 3671/4885
US-20180265509-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS HDAC4 3456/4885KDM1A 2583/4885TRPV4 4661/4885

“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.