SCHEMBL3695993

SCHEMBL3695993

CCc1[nH]c(C(C)C)nc1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL3783399 0.83 PDK2 (0.38) KDM4EHSD17B10LMNA
SCHEMBL19087065 0.83
SCHEMBL3690726 0.81 KDM4E (0.31) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL7969215 0.78 HSD17B10 (0.34) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL3697296 0.78 SMPD3 (0.36) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL22268030 0.77 TOP2A (0.32) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL3698711 0.72
SCHEMBL3787517 0.72 KDM4E (0.35) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL6855320 0.70 ADORA1 (0.43)
SCHEMBL798499 0.70 KDM4E (0.34) KDM4EHSD17B10LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US disclosed
US-9018387-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-04-28 US disclosed
US-8680289-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-03-25 US disclosed
EP-2580223-A1 COMPLEXES OF IMIDAZOLE LIGANDS Air Products and Chemicals, Inc. (US) 2013-04-17 EP disclosed
US-20130078391-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-03-28 US disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 US disclosed
WO-2011156699-A1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 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 (4 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-20130078391-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM KDM4E 2146/4885HSD17B10 4568/4885LMNA 2718/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB KDM4E 2506/4885HSD17B10 3403/4885LMNA 3680/4885
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB KDM4E 2506/4885HSD17B10 3403/4885LMNA 3680/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM KDM4E 2146/4885HSD17B10 4568/4885LMNA 2718/4885

“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.