SCHEMBL16775987

SCHEMBL16775987

COc1nccc(NC(=O)N2c3nc(-c4cccc(N5CCCC5)c4)ccc3NCC[C@H]2C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ CAMK2D Q13557 2/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ POLQ O75417 1/20 0.34
▸ TBK1 Q9UHD2 3/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ PRMT8 Q9NR22 1/20 0.34
▸ TP53BP1 Q12888 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ GSK3A P49840 1/20 0.33

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
SCHEMBL16776041 0.87 FAAH (0.40) KARS1JAK2HTR1AHTR7CAMK2D
SCHEMBL16776055 0.87 KARS1 (0.49) KARS1JAK2HTR1AHTR7CAMK2D
SCHEMBL16775985 0.86 GRM5 (0.38) GSK3AGSK3B
SCHEMBL19670389 0.85 ROCK2 (0.35) KARS1JAK2CAMK2DPOLQTBK1
SCHEMBL16776265 0.82 HTR1A (0.42) KARS1JAK2HTR1AHTR7CAMK2D
SCHEMBL16775993 0.82 ABL1 (0.43) KARS1JAK2HTR1ACAMK2DPRKCI
SCHEMBL17618487 0.81 CARM1 (0.38) JAK2CAMK2DPOLQCARM1PRMT6
SCHEMBL16775986 0.80 SLC27A1 (0.36) JAK2HTR1AHTR7PRKCIPOLQ
SCHEMBL16776263 0.80 FAAH (0.39) KARS1JAK2HTR1AHTR7CAMK2D
SCHEMBL16776039 0.78 VCP (0.40) KARS1HTR1AHTR7PRKCIGSK3B

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1760/4885JAK2 2392/4885HTR1A 4632/4885

“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.

Send feedback