SCHEMBL2455504

SCHEMBL2455504

CN(/N=C(\c1ccccc1Cl)n1ccnc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.37
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 4/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
TSHR P16473 3/20 0.35
CYP2C19 P33261 3/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 3/20 0.35
NR1I2 O75469 2/20 0.35
NR3C1 P04150 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TBXA2R P21731 2/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35

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
SCHEMBL2455506 1.00 POLB (0.40) POLBTP53CYP3A4CYP2D6CYP1A2
SCHEMBL2451630 0.93 NR1I2 (0.36) POLBCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL2451631 0.93 NR1I2 (0.36) POLBCYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL2452035 0.90 KMT2A (0.38) POLBCYP3A4CYP2D6ADRB2ADRB1
SCHEMBL2452034 0.90 KMT2A (0.38) POLBCYP3A4CYP2D6ADRB2ADRB1
SCHEMBL2453548 0.87 ADRB2 (0.37) POLBTP53CYP3A4CYP2D6CYP1A2
SCHEMBL2453546 0.87 ADRB2 (0.37) POLBTP53CYP3A4CYP2D6CYP1A2
SCHEMBL2451496 0.82 HTR1A (0.41) CYP3A4CYP2D6CYP2C9CYP2C19ADRB2
SCHEMBL2451494 0.82 HTR1A (0.41) CYP3A4CYP2D6CYP2C9CYP2C19ADRB2
SCHEMBL2453997 0.81 MAPT (0.45) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19

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-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP 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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 POLB 4711/4885TP53 4597/4885CYP3A4 240/4885

“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.