SCHEMBL1998971

SCHEMBL1998971

O=[C]Nc1cc2ccccc2nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.41
PDE2A O00408 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
NQO2 P16083 1/20 0.35
KDR P35968 1/20 0.35
NCF1 P14598 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 3/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
GPR3 P46089 1/20 0.33
MGAM O43451 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL29133799 0.76 KDM4E (0.46) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL24783631 0.76 NCF1 (0.55) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL1998972 0.76 KDM4E (0.42) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL1486301 0.74 CHEK1 (0.50) KDM4EALDH1A1NPC1RAB9ACYP1A2
SCHEMBL969950 0.74 NCF1 (0.59) KDM4EALDH1A1MAPTHPGDNCF1
SCHEMBL5272072 0.73 MAPT (0.50) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL224647 0.72 KDM4E (0.46) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL12890445 0.72 KDM4E (0.46) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL6006480 0.72 KDM4E (0.39) KDM4EALDH1A1MAPTGLAHPGD
SCHEMBL13134266 0.69 EGFR (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101242817-B HIF1 alpha modulators purposes in treatment cancer 菲布罗根公司 2016-08-31 CN disclosed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
CN-101500569-A HIF hydroxylase inhibitors for treatment of anemia of cancer FIBROGEN INC (US) 2009-08-05 CN disclosed
CN-101420980-A The Compounds and methods for of treatment apoplexy FIBROGEN INC (US) 2009-04-29 CN disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
CN-101242817-A Use of HIF1 alpha modulators for treatment of cancer FIBROGEN INC (US) 2008-08-13 CN disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A KDM4E 295/4885ALDH1A1 873/4885MAPT 4823/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 KDM4E 3385/4885ALDH1A1 2782/4885MAPT 2433/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 KDM4E 607/4885ALDH1A1 1954/4885MAPT 3685/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A KDM4E 295/4885ALDH1A1 873/4885MAPT 4823/4885

“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.