SCHEMBL7256617

SCHEMBL7256617

c1cc(-c2ccc3cnn(CCNC4CC4)c3c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ DYRK1A Q13627 3/20 0.38
▸ EEF2K O00418 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CAMK2B Q13554 1/20 0.38
▸ CAMK2G Q13555 1/20 0.38
▸ CAMK2D Q13557 1/20 0.38
▸ PKN2 Q16513 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ MINK1 Q8N4C8 1/20 0.38
▸ BRSK1 Q8TDC3 1/20 0.38

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
SCHEMBL7253624 0.84 BRD4 (0.42) BRD4HTR1DDYRK1AEEF2KDYRK3
SCHEMBL7256536 0.84 DRD2 (0.54) BACE1DRD2DRD4
SCHEMBL7253520 0.83 HTR1D (0.44) BRD4HTR1DDYRK1AEEF2KDYRK3
SCHEMBL7253584 0.81 HTR1D (0.42) BRD4HTR1DDYRK1AEEF2KDYRK3
SCHEMBL7253012 0.81 HTR1D (0.42) BRD4HTR1DDYRK1AEEF2KDYRK3
SCHEMBL7256498 0.79 EEF2K (0.46) BRD4HTR1DDYRK1AEEF2KDYRK3
SCHEMBL7253417 0.79 HTR1D (0.41) BRD4HTR1DDYRK1AEEF2KDYRK3
SCHEMBL7256527 0.78 HTR1D (0.43) BRD4HTR1DDYRK1AEEF2KDYRK3
SCHEMBL7258389 0.78 BRD4 (0.42) BRD4HTR1DDYRK1AEEF2KDYRK3
SCHEMBL7253656 0.78 HTR7 (0.57) HTR1DMCHR2MCHR1HTR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 — — US claimed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 — — US claimed
US-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 — — US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 — — US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 — — 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 BRD4 658/4885HTR1D 128/4885DYRK1A 3800/4885

“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