SCHEMBL11029002

SCHEMBL11029002

Nc1cn2cccc(C3=CCNCC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
SIGMAR1 Q99720 1/20 0.40
HTR6 P50406 5/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KHK P50053 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
QDPR P09417 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
SCHEMBL16554303 0.76 JAK2 (0.50) HTR2CSIGMAR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL16553729 0.76 JAK2 (0.50) HTR2CSIGMAR1KDM4EALDH1A1MAPT
SCHEMBL24377330 0.76 HTR2C (0.44) HTR2CSIGMAR1HTR6KDM4EALDH1A1
SCHEMBL21077874 0.71 JAK1 (0.48) HTR2CSIGMAR1HTR6KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2078358 0.69 HTR2C (0.61) HTR2CSIGMAR1HTR6HTR1AHTR7
SCHEMBL3434585 0.69 HTR2C (0.61) HTR2CSIGMAR1HTR6HTR1AHTR7
SCHEMBL16565643 0.68 HTR2C (0.47) HTR2CSIGMAR1HTR6HTR1AHTR7
SCHEMBL18278895 0.67 HTR2C (0.50) HTR2CSIGMAR1HTR6KDM4EALDH1A1
SCHEMBL29462225 0.66 HTR2C (0.45) HTR2CSIGMAR1HTR6KDM4EALDH1A1
SCHEMBL20508198 0.66 SIGMAR1 (0.46) HTR2CSIGMAR1KDM4EALDH1A1MAPT

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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD HTR2C 4282/4885SIGMAR1 3195/4885HTR6 3709/4885

“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.