SCHEMBL2890085

SCHEMBL2890085

Cc1c(N)cc(C(=O)O)cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
TDP1 Q9NUW8 4/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
TPMT P51580 1/20 0.46
ALDH1A1 P00352 4/20 0.41
RCE1 Q9Y256 2/20 0.41
CDC25B P30305 1/20 0.41
CASP6 P55212 1/20 0.41
GFER P55789 3/20 0.41
HCAR1 Q9BXC0 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 6/20 0.40
GAA P10253 3/20 0.40
THRB P10828 3/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40

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
SCHEMBL988442 0.87 TPMT (0.54) KDM4ETDP1KMT2AMEN1TPMT
SCHEMBL3097749 0.84 TPMT (0.56) KDM4ETDP1KMT2AMEN1TPMT
Fluoride SCHEMBL11641082 0.82 TPMT (0.54) KDM4ETDP1KMT2AMEN1TPMT
SCHEMBL28841032 0.82 KDM4E (0.47) KDM4ETDP1KMT2AMEN1ALDH1A1
SCHEMBL11644721 0.81 KDM4E (0.70) KDM4ETDP1KMT2AMEN1TPMT
SCHEMBL2809942 0.81 KDM4E (1.00) KDM4ETDP1KMT2AMEN1TPMT
SCHEMBL3252847 0.81 KDM4E (0.48) KDM4ETDP1KMT2AMEN1TPMT
SCHEMBL2811286 0.79 KDM4E (0.96) KDM4ETDP1KMT2AMEN1TPMT
SCHEMBL12640629 0.79 KDM4E (0.52) KDM4ETDP1KMT2AMEN1TPMT
SCHEMBL6262459 0.79 KDM4E (0.68) KDM4ETDP1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107857755-A N pyrrolidinyls, N` pyrazolyls urea, thiocarbamide, guanidine and cyanoguandine compounds as TRKA kinase inhibitors 阵列生物制药公司 2018-03-30 CN disclosed
CN-106983751-A Two ring substituted uracils and application thereof 拜耳医药股份有限公司 2017-07-28 CN disclosed
CN-104395310-B Bicyclic substituted uracils and their use 拜耳药业股份公司 2017-05-03 CN disclosed
CN-105130967-A Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as trka kinase inhibitors ARRAY BIOPHARMA INC 2015-12-09 CN disclosed
CN-103649076-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-09 CN disclosed
CN-104395310-A Bicyclic substituted uracils and their use Bayer Pharma AG 2015-03-04 CN disclosed
CN-104147596-A Method for prolonging treatment concentration by using non-covalent conjugated polymer of biological medicine and use LI RONGXIU 2014-11-19 CN disclosed
CN-102933545-B Method of producing toluene dicarbamate, method of producing toluene diisocyanate, and toluene dicarbamate MITSUI CHEMICALS INC 2014-11-12 CN disclosed
CN-101617012-B Aqueous coating composition having reduced plate out ARKEMA 2013-08-28 CN disclosed
CN-102933545-A Method of producing toluene dicarbamate, method of producing toluene diisocyanate, and toluene dicarbamate MITSUI CHEMICALS INC 2013-02-13 CN disclosed
CN-101616977-B Method for reducing plate out of aqueous coating compositions DOW GLOBAL TECHNOLOGIES INC US 2012-11-14 CN disclosed
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
CN-101616977-A Be used to reduce the method for the incrustation of water-based paint compositions DOW GLOBAL TECHNOLOGIES INC 2009-12-30 CN disclosed
CN-101617012-A Reduce the water-based paint compositions of incrustation DOW GLOBAL TECHNOLOGIES INC 2009-12-30 CN disclosed
CN-100372843-C 2,5-disubstituted-1,3-dioxygen cycle compound, their synthesis and application as PKC inhibiter CAPITAL MEDICAL UNIV (CN) 2008-03-05 CN disclosed
CN-100366603-C Process for preparing N-substituted carboxamides LONZA AG (CH) 2008-02-06 CN disclosed
CN-1785995-A 2,5-disubstituted-1,3-dioxygen cycle compound, their synthesis and application as PKC inhibiter CAPITAL MEDICAL UNIV (CN) 2006-06-14 CN disclosed
CN-1751020-A Process for the preparation of N-substituted formamides LONZA AG (CH) 2006-03-22 CN disclosed
CN-1242004-A Process for making 2-amino-2-imidazoline, guanidine, and 2-amino-3,4,5,6-tetrahydropyrimidine derivatives PROCTER & GAMBLE (US) 2000-01-19 CN 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 (1 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 KDM4E 3239/4885TDP1 4001/4885KMT2A 583/4885

“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.