SCHEMBL12377871

SCHEMBL12377871

CCn1nnc(-c2cccc(C)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
TSHR P16473 2/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
XPO1 O14980 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL512955 0.84 LMNA (0.63) TRPM8LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13947396 0.83 SMN1; SMN2 (0.54) TRPM8LMNASMN1; SMN2RAB9ANPC1
SCHEMBL13892292 0.82 XPO1 (0.58) TRPM8LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13947009 0.82 SMN1; SMN2 (0.53) TRPM8LMNASMN1; SMN2RAB9ANPC1
SCHEMBL2619292 0.80 SMN1; SMN2 (0.68) LMNASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL513853 0.79 LMNA (0.54) TRPM8LMNASMN1; SMN2MEN1KMT2A
SCHEMBL3544012 0.79 LMNA (0.71) LMNASMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL17922234 0.79 LMNA (0.50) TRPM8LMNAMEN1KMT2ARAB9A
SCHEMBL27429870 0.78 SMN1; SMN2 (0.60) TRPM8LMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL20114352 0.77 TSHR (0.75) LMNASMN1; SMN2MEN1KMT2ARAB9A

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-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D TRPM8 1112/4885LMNA 2244/4885SMN1; SMN2 3525/4885

“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.