SCHEMBL8666897

SCHEMBL8666897

Nc1c(NCc2ccccc2)ccnc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.55
PKM P14618 1/20 0.54
EGFR P00533 2/20 0.46
IGF1R P08069 2/20 0.46
FLT4 P35916 2/20 0.46
KDR P35968 2/20 0.46
KDM4C Q9H3R0 1/20 0.46
FABP1 P07148 1/20 0.45
FABP6 P51161 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GBA1 P04062 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOS2 P35228 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL30148165 0.81 CLK4 (0.50) EGFRIGF1RALDH1A1LMNAHTT
SCHEMBL2450873 0.81 CLK4 (0.50) EGFRIGF1RALDH1A1LMNAHTT
SCHEMBL9369713 0.79 KMT2A (0.48) FLT4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31343882 0.78 BACE1 (0.65) BACE1PKMEGFRFABP1FABP6
SCHEMBL9369388 0.77 CLK1 (0.38) KDM4CHTTSMN1; SMN2KDM4EMAPT
SCHEMBL3448086 0.76 AOC1 (0.38) KDM4CALDH1A1CYP1A2NOS2HSD17B10
SCHEMBL8562887 0.75 BACE1 (0.52) BACE1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2572082 0.75 HTT (0.50) PKMEGFRIGF1RALDH1A1CYP1A2
SCHEMBL19432620 0.75 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL783719 0.74 KDM4C (0.72) EGFRKDM4CALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
US-5723468-A COGNITION ACTIVATORS FOR MEMOY LOSS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 US disclosed
US-5571819-A Imidazopyridines as muscarinic agents WYETH 1996-11-05 US disclosed
EP-0399653-B1 Anticonvulsant triazolo[4,5-c]pyridine derivatives WELLCOME FOUND (GB) 1994-10-19 EP disclosed
US-5240937-A Treatment of epilepsy BURROUGHS WELLCOME CO. (US) 1993-08-31 US disclosed
EP-0399653-A1 Anticonvulsant triazolo[4,5-c]pyridine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1990-11-28 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 (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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 BACE1 2969/4885PKM 1205/4885EGFR 1923/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 BACE1 2969/4885PKM 1205/4885EGFR 1923/4885

“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.