SCHEMBL1903586

SCHEMBL1903586

Cc1[c]cnn1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.40
MAPK11 Q15759 2/20 0.40
OPRM1 P35372 1/20 0.40
GAA P10253 1/20 0.40
HCAR1 Q9BXC0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MGLL Q99685 1/20 0.39
PKM P14618 1/20 0.38
KCNN4 O15554 2/20 0.38
PDE4B Q07343 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2897551 0.81 ALDH1A1 (0.42) MAPK14OPRM1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2895231 0.80 CDK4 (0.36) MAPK14HCAR1ALDH1A1SMN1; SMN2PDE4B
SCHEMBL2903050 0.79 OPRM1 (0.45) OPRM1ALDH1A1PKMCDK4CCND1
SCHEMBL2350243 0.79 KCNN4 (0.41) HCAR1SMN1; SMN2MGLLKCNN4MEN1
SCHEMBL2903061 0.79 HCAR1 (0.42) OPRM1HCAR1ALDH1A1MGLLKCNN4
SCHEMBL2901246 0.76 RXRA (0.36) GAAPKMKCNN4MEN1KMT2A
SCHEMBL2900617 0.75 CYP17A1 (0.42)
SCHEMBL2902936 0.75 KCNN4 (0.35) MAPK14MAPK11GAAALDH1A1SMN1; SMN2
SCHEMBL2900638 0.75 HCAR1 (0.35) HCAR1ALDH1A1MAPTKCNN4LMNA
SCHEMBL2901157 0.75 RXRA (0.35) MAPK14MAPK11GAAMGLLPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
EP-2320907-A1 THERAPEUTIC COMPOUNDS Merck & Co., Inc. (US) 2011-05-18 EP disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP disclosed
WO-2010017047-A1 THERAPEUTIC COMPOUNDS MERCK & CO., INC. (US) 2010-02-11 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 MAPK14 252/4885MAPK11 433/4885OPRM1 4594/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR MAPK14 4228/4885MAPK11 4555/4885OPRM1 912/4885

“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.