SCHEMBL1710098

SCHEMBL1710098

Nc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 12/20 0.73
L3MBTL1 Q9Y468 10/20 0.73
KDM4E B2RXH2 4/20 0.69
ALDH1A1 P00352 2/20 0.69
POLB P06746 1/20 0.69
MBTD1 Q05BQ5 5/20 0.65
TP53BP1 Q12888 1/20 0.62
L3MBTL4 Q8NA19 1/20 0.62
NAMPT P43490 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 1/20 0.55

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
SCHEMBL14423861 0.88 L3MBTL3 (0.85) L3MBTL3L3MBTL1KDM4EALDH1A1MBTD1
SCHEMBL17076779 0.87 L3MBTL3 (0.68) L3MBTL3L3MBTL1KDM4EALDH1A1POLB
SCHEMBL13079516 0.86 L3MBTL3 (0.84) L3MBTL3L3MBTL1KDM4EALDH1A1MBTD1
SCHEMBL15131501 0.85 L3MBTL3 (0.65) L3MBTL3L3MBTL1KDM4EALDH1A1POLB
SCHEMBL12835172 0.85 L3MBTL3 (0.73) L3MBTL3L3MBTL1KDM4EALDH1A1POLB
SCHEMBL10112323 0.85 L3MBTL3 (0.73) L3MBTL3L3MBTL1KDM4EALDH1A1POLB
SCHEMBL13895388 0.85 NAMPT (0.55) L3MBTL3L3MBTL1KDM4EALDH1A1POLB
SCHEMBL10726916 0.84 KDM4E (0.94) L3MBTL3L3MBTL1KDM4EALDH1A1POLB
SCHEMBL7893397 0.83 L3MBTL3 (0.55) L3MBTL3L3MBTL1KDM4EALDH1A1POLB
SCHEMBL15759144 0.83 L3MBTL3 (0.75) L3MBTL3L3MBTL1KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088768-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2012-04-12 US disclosed
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
US-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use TOLERO PHARMACEUTICALS, INC. 2010-02-04 US disclosed
WO-2010011349-A2 PYRIMIDINE-2,4-DIAMINE JAK2 KINASE INHIBITING ANTI-INFLAMMATION USE SUPERGEN, INC. (US) 2010-01-28 WO disclosed
EP-2121634-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SuperGen, Inc. (US) 2009-11-25 EP disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 US disclosed
WO-2008106635-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 WO disclosed
WO-2008106635-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS SUPERGEN, INC. (US) 2008-09-04 WO disclosed
WO-2008045978-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2008-04-17 WO disclosed
WO-2007070872-A1 KINASE INHIBITORS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-06-21 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 (3 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-20100029675-A1 Pyrimidine-2, 4-diamine JAK2 Kinase inhibiting anti-inflammation use JAK2, JAK1, IRAK4 L3MBTL3 3791/4885L3MBTL1 3647/4885KDM4E 3720/4885
US-20120088768-A1 PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, ERBB2 L3MBTL3 3866/4885L3MBTL1 3398/4885KDM4E 4211/4885
US-20080214558-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AND THEIR USE AS JAK2 KINASE INHIBITORS JAK2, JAK1, JAK3 L3MBTL3 3231/4885L3MBTL1 3291/4885KDM4E 709/4885

“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.