SCHEMBL5490974

SCHEMBL5490974

O=C1CN=C(c2ccc(Br)cc2)c2ccc(Br)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
GABRA1 P14867 5/20 0.56
GABRA5 P31644 5/20 0.56
GABRA3 P34903 5/20 0.56
GABRA2 P47869 5/20 0.56
GABRB2 P47870 4/20 0.56
GABRG2 P18507 3/20 0.56
GABRB3 P28472 3/20 0.56
ADRA1A P35348 1/20 0.51
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49

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
SCHEMBL1365846 0.92 GABRA1 (0.69) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5490530 0.81 TUBB4A (0.55) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL1421181 0.80 KMT2A (0.82) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5034663 0.76 KMT2A (0.54) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL30094485 0.73 SMN1; SMN2 (0.59) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL16239021 0.73 SMN1; SMN2 (0.59) KMT2AGABRA1GABRA5GABRA3GABRA2
Ro-052921 SCHEMBL29979594 0.72 GABRA1 (1.00) KMT2AGABRA1GABRA5GABRA3GABRA2
Ro-052921 SCHEMBL1365706 0.72 GABRA1 (1.00) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5042572 0.71 TUBB4A (0.61) KMT2AGABRA1GABRA5GABRA3GABRA2
SCHEMBL5349682 0.71 TUBB4A (0.72) KMT2AGABRA1GABRA5GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US claimed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 WO 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A KMT2A 3175/4885GABRA1 92/4885GABRA5 98/4885

“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.