SCHEMBL3605211

SCHEMBL3605211

Cc1cn(C(=O)NC2CCNC2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.45
HTR4 Q13639 3/20 0.44
KHK P50053 1/20 0.39
KDM1A O60341 1/20 0.39
KDR P35968 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR6 P50406 1/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 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
SCHEMBL7267718 0.78 ALDH1A1 (0.55) HTR4MAPK1
Hydrochloric Acid SCHEMBL7443261 0.77 ALDH1A1 (0.54) HTR4MAPK1
SCHEMBL3604401 0.77 KDM1A (0.37) HTR4KHKKDM1AKDRTLR9
SCHEMBL23931088 0.73 MAPK1 (0.39) HTR4KDM1AACSS2MAPK1
SCHEMBL8528870 0.72 TFPI2 (0.47) TFPI2RAB9AMEN1KMT2A
SCHEMBL8527700 0.72 MEN1 (0.46) TFPI2MEN1KMT2A
SCHEMBL27887683 0.69 TFPI2 (0.51) TFPI2RAB9AMEN1KMT2AHTR6
Hydrochloric Acid SCHEMBL4937740 0.69 NPC1 (0.62) RAB9AMEN1KMT2A
SCHEMBL887130 0.67 CREBBP (0.55) TFPI2RAB9AMEN1KMT2A
SCHEMBL30622597 0.67 TFPI2 (0.54) TFPI2MEN1KMT2AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-02-11 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-20100035862-A1 NOVEL AZA-CYCLIC INDOLE-2-CARBOXAMIDES AND METHODS OF USE THEREOF IDO2, IDO1, INMT TFPI2 2746/4885HTR4 247/4885KHK 2769/4885

“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.