SCHEMBL1459554

SCHEMBL1459554

CC(N)c1nc(Cl)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.39
PDE2A O00408 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
C1R P00736 1/20 0.38
PTGES O14684 1/20 0.36
KDM4E B2RXH2 2/20 0.36
BACE1 P56817 1/20 0.36
PARP1 P09874 1/20 0.35
APP P05067 2/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CTSD P07339 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1458850 0.82 DHODH (0.39) SCN10AKDM4EAAK1LMNACYP1A2
SCHEMBL1458509 0.81 KDM1A (0.39) SCN10AHTR2AHTR2CHTR2BAAK1
SCHEMBL23040982 0.77 C1R (0.41) PDE2AC1RKDM4EPARP1APP
SCHEMBL29636633 0.77 C1R (0.41) PDE2AC1RKDM4EPARP1APP
SCHEMBL2531193 0.77 C1R (0.43) C1RKDM4EBACE1PARP1APP
SCHEMBL29909108 0.77 C1R (0.43) C1RKDM4EBACE1PARP1APP
SCHEMBL1459550 0.71 TAAR1 (0.40) C1RKDM4EBACE1PARP1F7
SCHEMBL1459549 0.70 PDE2A (0.44) PDE2AC1RAPPHTTNLRP3
SCHEMBL28710939 0.70 KDM4E (0.58) C1RKDM4EAPPLMNA
Ammonia Solution, Strong SCHEMBL3496901 0.70 CTSD (0.40) C1RKDM4EBACE1PARP1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796180-B2 Aminoquinazoline compounds for combating invertebrate pests BASF SE (DE) 2014-08-05 US disclosed
EP-2480537-A1 AMINOQUINAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2012-08-01 EP disclosed
US-20120178622-A1 Aminoquinazoline Compounds for Combating Invertebrate Pests BASF SE (DE) 2012-07-12 US disclosed
WO-2011036074-A1 AMINOQUINAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-03-31 WO 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-20120178622-A1 Aminoquinazoline Compounds for Combating Invertebrate Pests AAAS, ATL3, H1-3 SCN10A 3709/4885PDE2A 364/4885HTR2A 420/4885

“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.