SCHEMBL1198696

SCHEMBL1198696

Fc1cnc(-c2ccc(N3CCNCC3)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.49
HTR1A P08908 3/20 0.49
HTR7 P34969 3/20 0.49
HTR2B P41595 2/20 0.49
HTR6 P50406 2/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
ADRB1 P08588 4/20 0.47
HTR3A P46098 4/20 0.47
HTR3E A5X5Y0 3/20 0.47
HTR3B O95264 3/20 0.47
HTR3D Q70Z44 3/20 0.47
HTR3C Q8WXA8 3/20 0.47
SIGMAR1 Q99720 3/20 0.47
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
PLD1 Q13393 1/20 0.47
RPS6KA3 P51812 1/20 0.46
CETP P11597 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL13092430 0.84 ADRB1 (0.61) ACVR1HTR1AHTR7HTR2BHTR6
SCHEMBL13118650 0.84 CHRNB2 (0.57) ACVR1CHRNB2CHRNA4ADRB1HTR3A
SCHEMBL1200127 0.81 PLD1 (0.56) HTR1AHTR7CHRNB2CHRNA4ADRB1
SCHEMBL13092429 0.81 MAPKAPK2 (0.48) ACVR1CHRNB2CHRNA4ADRB1HTR3A
SCHEMBL13092435 0.80 ADRB1 (0.64) ACVR1HTR1AHTR7HTR2BHTR6
SCHEMBL13092428 0.80 ADRB1 (0.47) ACVR1CHRNB2CHRNA4ADRB1HTR3A
SCHEMBL943026 0.79 HTR7 (0.70) ACVR1HTR1AHTR7HTR2BHTR6
SCHEMBL21956060 0.79 CETP (0.60) ACVR1CHRNB2CHRNA4ADRB1HTR3A
SCHEMBL13092427 0.79 ACVR1 (0.52) ACVR1CHRNB2CHRNA4ADRB1HTR3A
Hydrochloric Acid SCHEMBL28605924 0.79 ADRB2 (0.53) ACVR1CHRNB2CHRNA4ADRB1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
EP-2170893-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2010-04-07 EP disclosed
WO-2008156739-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION (US) 2008-12-24 WO disclosed
WO-2007070398-A1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2007-06-21 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 ACVR1 3363/4885HTR1A 3948/4885HTR7 3872/4885

“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.