SCHEMBL21562489

SCHEMBL21562489

CN(CCc1c[nH]c2cc(F)ccc12)C(=N)NC(=N)N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.56
▸ HTR2A P28223 6/20 0.52
▸ MPO P05164 4/20 0.49
▸ GPR84 Q9NQS5 1/20 0.47
▸ CDK4 P11802 3/20 0.47
▸ CCND1 P24385 3/20 0.47
▸ HTR2C P28335 2/20 0.46
▸ HTR2B P41595 2/20 0.46
▸ SLC6A4 P31645 1/20 0.44
▸ ACHE P22303 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ BCHE P06276 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR1E P28566 1/20 0.42
▸ HTR1F P30939 1/20 0.42
▸ HTR7 P34969 1/20 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
SCHEMBL20258543 0.78 NOTUM (0.56) HTR1AHTR2AMPOGPR84SLC6A4
SCHEMBL29435343 0.77 MPO (0.78) HTR1AHTR2AMPOGPR84HTR2C
SCHEMBL23927849 0.77 MPO (0.78) HTR1AHTR2AMPOGPR84HTR2C
SCHEMBL20258620 0.75 ACHE (0.52) HTR1AHTR2AMPOGPR84SLC6A4
SCHEMBL25882269 0.74 HTR1A (0.65) HTR1AHTR2AMPOGPR84CDK4
SCHEMBL24243684 0.74 HTR2A (0.80) HTR1AHTR2AMPOGPR84HTR2C
SCHEMBL30053108 0.74 HTR2A (0.80) HTR1AHTR2AMPOGPR84HTR2C
SCHEMBL17198948 0.73 AOC3 (0.51) —
SCHEMBL6029451 0.72 HTR1A (0.59) HTR1AHTR2AMPOGPR84CDK4
SCHEMBL29564678 0.72 HTR1A (1.00) HTR1AHTR2AMPOGPR84HTR2C

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-11834411-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy NOVATARG, INC. (US) 2023-12-05 — — US disclosed
US-20220213036-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG, INC. 2022-07-07 — — US disclosed
US-20190345103-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY NOVATARG, INC. 2019-11-14 — — 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 (3 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-20220213036-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB HTR1A 4374/4885HTR2A 3926/4885MPO 3308/4885
US-20190345103-A1 FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERAPY SLC16A7, SLC16A1, HADHB HTR1A 4374/4885HTR2A 3926/4885MPO 3308/4885
US-11834411-B2 Fused bicyclic alkylene linked imidodicarbonimidic diamides, methods for synthesis, and uses in therapy SLC16A7, SLC16A1, HADHB HTR1A 4374/4885HTR2A 3926/4885MPO 3308/4885

“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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