SCHEMBL4092576

SCHEMBL4092576

Cc1nnc(-c2ccncc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
APAF1 O14727 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.42
IMPDH2 P12268 1/20 0.42
MAPT P10636 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CSNK1D P48730 1/20 0.41
NOTUM Q6P988 1/20 0.41
MAPK13 O15264 1/20 0.41

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
SCHEMBL7068103 0.86 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1NPSR1MAPK1HTT
SCHEMBL21258377 0.82 ALDH1A1 (0.64) SMN1; SMN2HPGDL3MBTL1ALDH1A1NPSR1
SCHEMBL27971875 0.77 ADORA2A (0.47) SMN1; SMN2HPGDALDH1A1NPSR1MAPK1
SCHEMBL9775493 0.77 KDM4E (0.58) SMN1; SMN2ALDH1A1MAPK1IMPDH2MAPT
SCHEMBL15125374 0.77 KDR (0.49) SMN1; SMN2HPGDALDH1A1NPSR1MAPK1
SCHEMBL89446 0.76 SMN1; SMN2 (0.58) SMN1; SMN2POLBL3MBTL1ALDH1A1MAPK1
SCHEMBL26242537 0.75 MAPT (0.43) SMN1; SMN2APAF1HPGDRECQLPOLB
SCHEMBL27966692 0.75 TAAR1 (0.46) SMN1; SMN2HPGDALDH1A1NPSR1MAPK1
Ammonia Solution, Strong SCHEMBL27658861 0.73 SMN1; SMN2 (0.56) SMN1; SMN2POLBL3MBTL1ALDH1A1MAPK1
Ammonia Solution, Strong SCHEMBL17728179 0.72 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPK1IMPDH2MAPK11

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-20090239872-A1 TREATMENT OF MESOTHELIOMA HOHNEKER JOHN ARTHUR 2009-09-24 US disclosed
US-20090196871-A1 USE OF 4-PYRIDYLMETHYLPHTHALAZINES FOR CANCER TREATMENT DUGAN MARGARET HAN 2009-08-06 US disclosed
US-20060058313-A1 Treatment of mesothelioma HOHNEKER JOHN A 2006-03-16 US disclosed
US-20040258770-A1 Use of 4-pyridylmethylphthalazines for cancer treatment DUGAN MARGARET HAN (US) 2004-12-23 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-20090239872-A1 TREATMENT OF MESOTHELIOMA CD47, MB, MGMT SMN1; SMN2 1723/4885APAF1 1495/4885HPGD 506/4885
US-20060058313-A1 Treatment of mesothelioma CD47, MB, MGMT SMN1; SMN2 1723/4885APAF1 1495/4885HPGD 506/4885

“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.