SCHEMBL2693347

SCHEMBL2693347

CCCc1cc(C#N)ccc1NN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ABCC9 O60706 1/20 0.41
▸ ABCC8 Q09428 1/20 0.41
▸ KCNJ11 Q14654 1/20 0.41
▸ KCNJ8 Q15842 1/20 0.41
▸ HRH4 Q9H3N8 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2A6 P11509 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ IDO1 P14902 2/20 0.33

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
SCHEMBL2694494 0.86 ABCC9 (0.49) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL19639761 0.83 SLC6A4 (0.43) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL20526615 0.77 HRH4 (0.46) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL18179299 0.75 MEN1 (0.44) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL10366101 0.75 MEN1 (0.44) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL14291553 0.75 CYP2A6 (0.45) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL12663273 0.75 CYP2A6 (0.45) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL24593615 0.74 KCNH2 (0.44) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL17643416 0.74 MEN1 (0.43) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL19175665 0.74 HRH4 (0.46) MEN1KMT2AHRH4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 — — US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 — — EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 — — US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 — — US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 — — EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 — — 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 MEN1 3478/4885KMT2A 2897/4885ABCC9 1915/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 MEN1 3478/4885KMT2A 2897/4885ABCC9 1915/4885

“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.

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