SCHEMBL14912475

SCHEMBL14912475

CC(=O)N/N=C/c1cncc(Cl)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GRK2 P25098 9/20 0.40
GFER P55789 1/20 0.38
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRK5 P34947 1/20 0.35
GRK3 P35626 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL14912476 1.00 KDM4E (0.42) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL14912060 0.71 JAK2 (0.38) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL14912058 0.71 JAK2 (0.38) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL111872 0.71 HCAR2 (0.46) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5760445 0.69 HCAR2 (0.45) KDM4EMEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5204506 0.69 HCAR2 (0.45) KDM4EMEN1KMT2ALMNASMN1; SMN2
Nitrous Acid SCHEMBL28928125 0.68 HCAR2 (0.41) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4555171 0.68 CYP1A2 (0.62) KMT2ALMNASMN1; SMN2ALDH1A1NPC1
Formaldehyde SCHEMBL28038712 0.67 HCAR2 (0.43) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6125229 0.67 ALDH1A1 (0.46) KDM4EMEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657034-B2 Substituted furo[3,2-c]pyridines, thieno[3,2-c]pyridines, thieno[2,3-d]pyridazines and pyrido[3,4-d]pyridazines as phosphodiesterase type 10A inhibitors AbbVie Deuschland GmbH & Co. KG (DE) 2017-05-23 US disclosed
EP-2776418-B1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-01-04 EP disclosed
US-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-05-19 US disclosed
US-9273068-B2 Substituted isoquinolines and phthalazines as inhibitors of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2016-03-01 US disclosed
EP-2776418-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co KG (DE) 2014-09-17 EP disclosed
WO-2013068470-A1 INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO disclosed
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US disclosed
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US 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 (3 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-20160137668-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B KDM4E 803/4885MEN1 1923/4885KMT2A 2616/4885
US-20130116241-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE3B KDM4E 803/4885MEN1 1923/4885KMT2A 2616/4885
US-20130116233-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE5A, PDE3A, PDE2A KDM4E 1619/4885MEN1 2739/4885KMT2A 2153/4885

“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.