SCHEMBL14414488

SCHEMBL14414488

CNCc1ccc2cccnc2c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 12/20 0.51
BCHE P06276 1/20 0.51
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
PTBP1 P26599 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
GMNN O75496 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL12722433 0.84 CTSB (0.53) EGLN1BCHEMAPTALDH1A1MEN1
SCHEMBL11955296 0.82 BCHE (0.48) EGLN1BCHEMAPTALDH1A1MEN1
SCHEMBL4037379 0.82 L3MBTL1 (0.61) EGLN1BCHEALDH1A1KMT2AHTT
SCHEMBL9310765 0.81 ALDH1A1 (0.56) EGLN1BCHEMAPTALDH1A1KMT2A
SCHEMBL6912855 0.80 HTR5A (0.54) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL1714944 0.79 BCHE (0.49) EGLN1BCHEMAPTALDH1A1MEN1
SCHEMBL17223780 0.79 BCHE (0.48) EGLN1BCHEMAPTALDH1A1MEN1
SCHEMBL11967425 0.79 TERT (0.52) EGLN1BCHEMAPTALDH1A1MEN1
SCHEMBL2359289 0.78 LMNA (0.52) EGLN1BCHEMAPTALDH1A1HTT
SCHEMBL11770828 0.78 EGLN1 (0.49) EGLN1BCHEALDH1A1HSP90AA1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents THE J. DAVID GLADSTONE INSTITUTES 2017-02-16 US disclosed
US-9233995-B2 Quinazoline derivatives and quinazoline complex protein kinase inhibitor for inhibiting multiplication of tumor cells and preparation method thereof INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-12 US disclosed
US-8562922-B2 Picolylamine resins LANXESS DEUTSCHLAND GMBH (US) 2013-10-22 US disclosed
EP-2259874-B1 PICOLYLAMINE RESINS LANXESS DEUTSCHLAND GMBH (DE) 2013-10-09 EP disclosed
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCE (CN) 2013-08-29 US disclosed
WO-2007101584-A2 RADIONUCLIDE RESINS LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 WO disclosed
WO-2007088010-A1 MONODISPERSE, MACROPOROUS CHELATING RESINS IN METAL WINNING LANXESS DEUTSCHLAND GMBH (DE) 2007-08-09 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 (2 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-20170044107-A1 Inhibitors of JMJD2C as Anticancer Agents KDM2A, KDM1B, KDM5C EGLN1 170/4885BCHE 3780/4885MAPT 3264/4885
US-20130225811-A1 QUINAZOLINE DERIVATIVES AND QUINAZOLINE COMPLEX PROTEIN KINASE INHIBITOR FOR INHIBITING MULTIPLICAITON OF TUMOR CELLS AND PREPARATION METHOD THEREOF MAP3K21, MAP3K15, MAP3K14 EGLN1 4222/4885BCHE 3277/4885MAPT 2047/4885

“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.