SCHEMBL14257564

SCHEMBL14257564

Cc1ccccc1N/C(=N\C#N)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 3/20 0.42
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SIGMAR1 Q99720 4/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
EBP Q15125 1/20 0.38
TMEM97 Q5BJF2 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
SCHEMBL4777722 1.00 RAB9A (0.43) RAB9ANPC1KMT2AHPGDPOLB
SCHEMBL4777719 1.00 RAB9A (0.43) RAB9ANPC1KMT2AHPGDPOLB
SCHEMBL15542896 0.84 GSK3A (0.36) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7398942 0.84 KMT2A (0.45) RAB9ANPC1KMT2APOLBALDH1A1
SCHEMBL14257403 0.84 GSK3A (0.36) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL7398941 0.84 KMT2A (0.45) RAB9ANPC1KMT2APOLBALDH1A1
SCHEMBL14257481 0.84 LMNA (0.39) RAB9ANPC1KMT2AALDH1A1SIGMAR1
SCHEMBL14257487 0.84 GAA (0.48) RAB9ANPC1KMT2AALDH1A1SIGMAR1
SCHEMBL11244903 0.84 HPGD (0.41) RAB9ANPC1KMT2AHPGDPOLB
SCHEMBL11244909 0.84 HPGD (0.41) RAB9ANPC1KMT2AHPGDPOLB

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
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
US-20150322045-A1 CYANOGUANIDINES AND USES THEREOF ABBVIE INC. 2015-11-12 US disclosed
WO-2014005129-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC. (US) 2014-01-03 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 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-20150322045-A1 CYANOGUANIDINES AND USES THEREOF GMPS, RNGTT, RNMT RAB9A 384/4885NPC1 2012/4885KMT2A 3931/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 RAB9A 3303/4885NPC1 635/4885KMT2A 3643/4885

“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.