SCHEMBL19863972

SCHEMBL19863972

Cc1nc(-c2ccncc2)ccc1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
AR P10275 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDE3B Q13370 10/20 0.42
PDE3A Q14432 10/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DYRK1A Q13627 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL15984750 0.81 NPC1 (0.44) NPC1RAB9ACYP2C19PDE3BPDE3A
SCHEMBL2189712 0.81 ALDH1A1 (0.56) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL7281511 0.78 PDE3B (0.41) NPC1RAB9APDE3BPDE3ALMNA
SCHEMBL11069575 0.78 NOS3 (0.48) NPC1RAB9APDE3BPDE3ALMNA
SCHEMBL7278594 0.75 DYRK1A (0.54) NPC1RAB9APDE3BPDE3ADYRK1A
SCHEMBL15980679 0.75 PDE3B (0.40) PDE3BPDE3ALMNAMAPTMEN1
SCHEMBL4407012 0.74 ALDH1A1 (0.48) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL11063569 0.73 PDE3B (0.42) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL30928309 0.72 L3MBTL1 (0.48) NPC1RAB9ACYP1A2CYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL27693756 0.69 MAPK1 (0.46) NPC1RAB9AKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044581-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, ELECTROCHROMIC ELEMENT, AND ELECTROCHROMIC DIMMING ELEMENT RICOH COMPANY, LTD. (JP) 2018-02-15 US disclosed
US-20180044581-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, ELECTROCHROMIC ELEMENT, AND ELECTROCHROMIC DIMMING ELEMENT RICOH COMPANY, LTD. (JP) 2018-02-15 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-20180044581-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, ELECTROCHROMIC ELEMENT, AND ELECTROCHROMIC DIMMING ELEMENT ETV6, AP2M1, KCNH3 NPC1 4700/4885RAB9A 3478/4885CYP1A2 572/4885

“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.