SCHEMBL3077381

SCHEMBL3077381

N#Cc1ccc2[nH]cc(CN3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.55
DRD4 P21917 5/20 0.55
DRD3 P35462 5/20 0.55
AR P10275 1/20 0.54
KCNH2 Q12809 1/20 0.54
HTR1A P08908 5/20 0.46
SLC6A4 P31645 2/20 0.42

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
SCHEMBL3075644 0.88 AR (0.65) DRD2DRD4DRD3ARKCNH2
SCHEMBL3080354 0.86 AR (0.61) DRD2DRD4DRD3ARKCNH2
SCHEMBL5197067 0.72 DRD2 (1.00) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL7504732 0.71 DRD2 (1.00) DRD2DRD4DRD3HTR1ASLC6A4
SCHEMBL12084221 0.71 AR (0.81) DRD2DRD4DRD3ARKCNH2
SCHEMBL7504561 0.71 DRD2 (1.00) DRD2DRD4DRD3KCNH2HTR1A
SCHEMBL3077396 0.71 AR (1.00) DRD2DRD4DRD3ARKCNH2
SCHEMBL3066696 0.70 AR (0.68) ARKCNH2
SCHEMBL3079193 0.69 AR (0.70) ARKCNH2
SCHEMBL3068661 0.69 AR (0.77) DRD2DRD4DRD3ARKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 US claimed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP claimed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP claimed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US claimed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO claimed
US-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 US disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 EP disclosed
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 US disclosed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 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 (2 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-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA DRD2 2254/4885DRD4 2466/4885DRD3 855/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA DRD2 2373/4885DRD4 2484/4885DRD3 908/4885

“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.