SCHEMBL20143958

SCHEMBL20143958

Cc1ccc(C(C)CCc2cc(C(C)C)ccn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ LTK P29376 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL19559053 0.85 NOS3 (0.37) LMNAKMT2AMEN1HRH1RXRA
SCHEMBL24868449 0.77 ALDH1A1 (0.34) LMNAALDH1A1JAK2RXRAGRIN1
SCHEMBL12394763 0.77 HRH4 (0.40) LMNAALDH1A1AURKADAPK3JAK2
SCHEMBL20803981 0.76 RXRA (0.37) AURKAAURKBRXRAGRIN1GRIN2B
SCHEMBL19132985 0.75 CACNA2D1 (0.36) LMNAALDH1A1HRH1
SCHEMBL22404460 0.74 LMNA (0.42) LMNAKMT2AMEN1HRH1SMN1; SMN2
SCHEMBL25135431 0.73 CHRNA7 (0.39) ALDH1A1RXRAGRIN1GRIN2B
SCHEMBL13533992 0.72 KDM4E (0.50) LMNAALDH1A1RXRAGRIN1GRIN2B
SCHEMBL18927429 0.72 KMT2A (0.40) LMNAKMT2AMEN1HRH1
SCHEMBL24810714 0.72 LMNA (0.41) LMNAKMT2AMEN1HRH1SMN1; SMN2

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-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 — — US disclosed
US-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN ARRAY BIOPHARMA INC. (US) 2019-09-05 — — US disclosed
US-9969694-B2 N-(arylalkyl)-N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-05-15 — — 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 (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-20190270749-A1 BICYCLIC UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF PAIN TK1, UACA, TDP1 LMNA 3225/4885KMT2A 3789/4885MEN1 3638/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 LMNA 3225/4885KMT2A 3789/4885MEN1 3638/4885

“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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