SCHEMBL2460136

SCHEMBL2460136

O=c1c2ccccc2c(Cl)nn1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.42
GAA P10253 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 7/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL1787409 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AHTTGAA
SCHEMBL31091769 0.78 KAT2B (0.50) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL17559135 0.78 KAT2B (0.50) SMN1; SMN2MEN1KMT2AALDH1A1HPGD
SCHEMBL13728263 0.75 POLB (0.56) SMN1; SMN2MEN1KMT2AHTTGAA
SCHEMBL11640333 0.75 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AHTTL3MBTL1
SCHEMBL13728276 0.73 MAPT (0.56) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL15816631 0.72 ALDH1A1 (0.67) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL29539396 0.72 ALDH1A1 (0.67) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL22721732 0.70 NPSR1 (0.44) SMN1; SMN2MEN1KMT2AGAARAB9A
SCHEMBL22721559 0.70 NPSR1 (0.56) SMN1; SMN2MEN1KMT2AHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 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 (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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 SMN1; SMN2 4449/4885MEN1 2282/4885KMT2A 502/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 SMN1; SMN2 4449/4885MEN1 2282/4885KMT2A 502/4885

“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.