SCHEMBL3784623

SCHEMBL3784623

Nc1nccc(N2CCC(N)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 1.00
▸ HRH4 Q9H3N8 6/20 0.63
▸ HTR3E A5X5Y0 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HTR3B O95264 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HTR3D Q70Z44 1/20 0.53
▸ HTR3C Q8WXA8 1/20 0.53
▸ PRKCQ Q04759 1/20 0.47
▸ CKS1B P61024 1/20 0.47
▸ SKP1 P63208 1/20 0.47
▸ SKP2 Q13309 1/20 0.47
▸ ROCK1 Q13464 3/20 0.45
▸ AKT2 P31751 1/20 0.43

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
Hydrochloric Acid SCHEMBL3781024 0.98 HRH3 (0.97) HRH3HRH4HTR3EMEN1HTR3B
SCHEMBL13018656 0.90 HRH3 (0.82) HRH3HRH4PRKCQ
SCHEMBL13018659 0.90 HRH3 (0.82) HRH3HRH4PRKCQ
SCHEMBL17626780 0.90 HRH3 (0.81) HRH3HRH4HTR3EMEN1HTR3B
Hydrochloric Acid SCHEMBL16620548 0.89 HRH3 (0.79) HRH3HRH4PRKCQ
SCHEMBL22616978 0.85 HRH3 (0.73) HRH3HRH4MEN1TSHRKMT2A
SCHEMBL17626721 0.83 HRH3 (0.71) HRH3HRH4ROCK1
SCHEMBL18691295 0.83 HRH3 (0.71) HRH3HRH4ROCK1
SCHEMBL18691294 0.83 HRH3 (0.71) HRH3HRH4ROCK1
SCHEMBL13018663 0.82 HRH3 (0.70) HRH3HRH4ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 — — US claimed
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 — — US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 — — 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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HRH3 3/4885HRH4 2/4885HTR3E 20/4885

“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.

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