SCHEMBL3191902

SCHEMBL3191902

COc1ccccc1-c1nc2cc(NC(C)=N)ccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 7/20 0.47
KDM4E B2RXH2 5/20 0.47
HCRTR1 O43613 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.46
HPGD P15428 2/20 0.45
AGPAT2 O15120 1/20 0.45
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
AHR P35869 1/20 0.44
HSD17B10 Q99714 1/20 0.44
EGFR P00533 1/20 0.43

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
SCHEMBL3182136 0.86 DYRK1A (0.49) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3192267 0.84 MAPT (0.50) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3204787 0.84 MAPT (0.48) TP53MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3198889 0.83 AGPAT2 (0.52) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13343677 0.81 AGPAT2 (0.42) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3193619 0.81 MAOA (0.46) TP53MEN1KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3204643 0.80 AGPAT2 (0.41) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3196077 0.80 RAB9A (0.53) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13420354 0.80 AGPAT2 (0.41) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3182125 0.79 HDAC6 (0.58) SMN1; SMN2RAB9ANPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 EP disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 US disclosed
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA 2005-09-08 US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 EP 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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 TP53 4810/4885MEN1 3366/4885KMT2A 3630/4885
US-20050197331-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production NOS3, NOS1, NOS2 TP53 4810/4885MEN1 3366/4885KMT2A 3630/4885

“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.