SCHEMBL1554856

SCHEMBL1554856

O=C(Cc1ccc(Cl)nc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
MAPT P10636 3/20 0.53
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
NAPRT Q6XQN6 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMO Q99835 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
NAMPT P43490 1/20 0.46
FFAR1 O14842 1/20 0.46
PLAU P00749 1/20 0.45
TRPA1 O75762 1/20 0.44
MAPK1 P28482 1/20 0.44
GSK3B P49841 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL1553800 0.82 KCNQ3 (0.56) MAPTKCNQ3KCNQ2RAB9ANPC1
SCHEMBL8135078 0.81 L3MBTL1 (0.51) L3MBTL1MAPTKCNQ3KCNQ2NAPRT
SCHEMBL30154481 0.80 GABRP (0.61) L3MBTL1MAPTNAPRTRAB9ANPC1
SCHEMBL256024 0.80 GABRP (0.61) L3MBTL1MAPTNAPRTRAB9ANPC1
Benzoic Acid SCHEMBL11276850 0.79 NAPRT (0.56) L3MBTL1MAPTKCNQ3KCNQ2NAPRT
SCHEMBL7199268 0.78 MAPT (0.67) L3MBTL1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL571046 0.77 L3MBTL1 (0.85) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL11266066 0.76 KMT2A (0.60) L3MBTL1MAPTKCNQ3KCNQ2RAB9A
SCHEMBL8837372 0.76 L3MBTL1 (0.74) L3MBTL1MAPTKCNQ3KCNQ2RAB9A
SCHEMBL6818113 0.76 KMT2A (0.53) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-1439175-B1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2011-04-27 EP disclosed
EP-2246344-A1 Pyrimidine compounds and medicinal composition thereof Eisai R&D Management Co., Ltd. (JP) 2010-11-03 EP disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF HARADA HITOSHI 2009-01-29 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396836-B2 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 US disclosed
EP-1439175-A1 PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-07-21 EP 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-20090030023-A1 PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF CBR3, AHR, HCCS L3MBTL1 2907/4885MAPT 3730/4885KCNQ3 952/4885
US-20050004149-A1 Pyrimidine compound and medicinal composition thereof ADORA2B, ADORA2A, ADORA3 L3MBTL1 3707/4885MAPT 4776/4885KCNQ3 2515/4885

“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.