SCHEMBL12449554

SCHEMBL12449554

CC(C)(C)c1ccc2nn(Cc3ccccc3)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.45
KDM4C Q9H3R0 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
ADORA3 P0DMS8 3/20 0.41
P2RX7 Q99572 1/20 0.41
PARP1 P09874 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13042 0.81 NPC1 (0.50) ERBB2KDM4CSMN1; SMN2TP53ADORA3
SCHEMBL26777099 0.79 SCN10A (0.37) ADORA3ADORA2AADORA1
SCHEMBL8553183 0.78 ADORA2A (0.48) ERBB2KDM4CSMN1; SMN2ADORA3PARP1
SCHEMBL17602097 0.78 ESR2 (0.56) ERBB2KDM4CADORA3PARP1ADORA2A
SCHEMBL14327125 0.78 ERBB2 (0.45) ERBB2KDM4CSMN1; SMN2ADORA3PARP1
SCHEMBL1128943 0.78 HDAC8 (0.50) ERBB2KDM4CSMN1; SMN2ADORA3PARP1
SCHEMBL17602073 0.77 MAPT (0.54) ERBB2KDM4CSMN1; SMN2TP53LMNA
SCHEMBL15687224 0.77 HDAC6 (0.45) ERBB2KDM4CSMN1; SMN2ADORA3P2RX7
SCHEMBL19475067 0.76 PARP1 (0.51) ERBB2KDM4CADORA3PARP1ADORA2A
SCHEMBL25402755 0.74 HCAR3 (0.49) ERBB2KDM4CSMN1; SMN2ADORA3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 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 (1 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA ERBB2 507/4885KDM4C 1642/4885SMN1; SMN2 2692/4885

“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.