SCHEMBL5622348

SCHEMBL5622348

COc1ccnc(NCc2ccccc2)n1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 4/20 0.50
CYP2C19 P33261 4/20 0.50
TSHR P16473 3/20 0.50
CYP2D6 P10635 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
CYP3A4 P08684 2/20 0.50
USP2 O75604 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP2C9 P11712 2/20 0.48

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
SCHEMBL10055017 0.92 CLK4 (0.52) HTTCLK4MAPK13RAF1MAPK9
Sulfuric Acid SCHEMBL28646821 0.92 HTT (0.53) HTTSMN1; SMN2CYP1A2CYP2C19TSHR
SCHEMBL18434511 0.84 HTT (0.55) HTTSMN1; SMN2CYP1A2CYP2C19TSHR
SCHEMBL10055031 0.84 SMN1; SMN2 (0.49) HTTSMN1; SMN2CLK4USP2MAPK13
SCHEMBL14272989 0.84 HDAC1 (0.51) HTTCYP1A2CYP2C19TSHRCYP2D6
SCHEMBL15952526 0.81 HTT (0.82) HTTSMN1; SMN2CYP1A2CYP2C19TSHR
SCHEMBL28860465 0.80 MKNK1 (0.42) HTTCYP1A2CYP2C19CLK4MAPT
SCHEMBL12597156 0.78 NPSR1 (0.55) HTTSMN1; SMN2CYP1A2CYP2C19TSHR
SCHEMBL22191109 0.78 LCK (0.50) MEN1KMT2AALDH1A1HPGDLCK
SCHEMBL21797166 0.77 CDC7 (0.46) HTTCYP1A2CYP2C19TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111554892-B Lithium battery negative electrode material Co3O4Preparation method of nano-fiber 宁波大学 2021-07-30 CN claimed
CN-111554892-A Lithium battery negative electrode material Co3O4Preparation method of nano-fiber 宁波大学 2020-08-18 CN claimed
CN-111564619-B Preparation method of carbon-coated nano nickel lithium battery material 宁波大学 2022-06-24 CN disclosed
CN-114286668-A Local, sustained, controlled release implantable depot of therapeutic agents for treating cancer and related symptoms and conditions 铸造疗法股份有限公司 2022-04-05 CN disclosed
CN-111554892-B Lithium battery negative electrode material Co3O4Preparation method of nano-fiber 宁波大学 2021-07-30 CN disclosed
CN-109153700-B C-3 and C-17 modified triterpenoids as HIV-1 inhibitors VIIV保健英国第五有限公司 2021-03-09 CN disclosed
CN-111867608-A Phage therapy for acne and biofilm 拜欧麦克斯有限公司 2020-10-30 CN disclosed
CN-111554892-A Lithium battery negative electrode material Co3O4Preparation method of nano-fiber 宁波大学 2020-08-18 CN disclosed
CN-104725397-A Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB 2015-06-24 CN disclosed
CN-101972226-B Veterinary doxycycline hydrochloride injection and preparation method thereof ZHENGZHOU HOUYI PHARMACEUTICAL 2012-11-07 CN disclosed
CN-101972226-A Veterinary doxycycline hydrochloride injection and preparation method thereof ZHENGZHOU HOUYI ENTPR GROUP CO LTD 2011-02-16 CN disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
EP-1549621-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-07-06 EP disclosed
US-6872726-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-29 US disclosed
US-20050032797-A1 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004014870-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 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-20040077647-A1 Cytokine inhibitors, antiinflammatory agents IL1B, IL1A, TNF HTT 4500/4885SMN1; SMN2 4000/4885CYP1A2 558/4885
US-20050032797-A1 Fluorinated di-aryl urea compounds IL1B, MPO, IL1A HTT 3495/4885SMN1; SMN2 4452/4885CYP1A2 369/4885

“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.