Sugi Predict

Sugi Predict / Compounds / SCHEMBL8739170

SCHEMBL8739170

SCHEMBL8739170

COCCN1CCN(c2ccnc(Nc3nc4ccc(-c5ccncc5)cc4s3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ FLT3 P36888 5/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ PRKX P51817 1/20 0.41
▸ NEK4 P51957 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ HIPK4 Q8NE63 1/20 0.41

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
SCHEMBL29470290 0.91 PIK3CA (0.40) PIK3CAABL1FLT3AKT1ROCK2
SCHEMBL6119676 0.91 PIK3CA (0.40) PIK3CAABL1FLT3AKT1ROCK2
SCHEMBL15673364 0.89 FLT3 (0.47) PIK3CAABL1FLT3AKT1ROCK2
SCHEMBL29470354 0.89 FLT3 (0.47) PIK3CAABL1FLT3AKT1ROCK2
SCHEMBL8739703 0.88 CHEK1 (0.47) PIK3CAROCK2KDRCYP2D6CYP2C19
SCHEMBL6125607 0.88 LCK (0.47) PIK3CAABL1FLT3AKT1ROCK2
SCHEMBL29470504 0.88 LCK (0.47) PIK3CAABL1FLT3AKT1ROCK2
SCHEMBL8738784 0.88 KDR (0.41) PIK3CADYRK1AKDRCYP2D6CYP2C19
SCHEMBL29470356 0.88 KDR (0.41) PIK3CADYRK1AKDRCYP2D6CYP2C19
SCHEMBL15673300 0.88 SRC (0.45) KDRCYP2D6CYP2C19MAPTSMN1; 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298031-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2018-10-18 — — US claimed
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2016-12-01 — — US claimed
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-06-05 — — US claimed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 — — US disclosed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 — — US disclosed
US-11773110-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2023-10-03 — — US disclosed
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2022-04-21 — — US disclosed
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2022-04-21 — — US disclosed
US-11186593-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2021-11-30 — — US disclosed
US-11186593-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2021-11-30 — — US disclosed
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-07-09 — — US disclosed
US-9266874-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-02-23 — — US disclosed
US-9266874-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-02-23 — — US disclosed
US-9266874-B2 Heterocycle amines and uses thereof LIGAND PHARMACEUTICALS INCORPORATED (US) 2016-02-23 — — US disclosed
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-06-05 — — US disclosed
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-06-05 — — US disclosed
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-06-05 — — US disclosed
EP-2730564-A1 Heterocycle amines and uses thereof Ligand Pharmaceuticals Inc. (US) 2014-05-14 — — EP disclosed
EP-2730564-A1 Heterocycle amines and uses thereof Ligand Pharmaceuticals Inc. (US) 2014-05-14 — — EP disclosed
WO-2012068546-A1 HETEROCYCLE AMINES AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 — — 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 (7 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-20180298031-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE PIK3CA 2230/4885ABL1 37/4885FLT3 192/4885
US-11773110-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE PIK3CA 2230/4885ABL1 37/4885FLT3 192/4885
US-20200216468-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE PIK3CA 2230/4885ABL1 37/4885FLT3 192/4885
US-11186593-B2 Heterocycle amines and uses thereof HNMT, NQO1, ACHE PIK3CA 2230/4885ABL1 37/4885FLT3 192/4885
US-20160347767-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE PIK3CA 2230/4885ABL1 37/4885FLT3 192/4885
US-20220119413-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE PIK3CA 2230/4885ABL1 37/4885FLT3 192/4885
US-20140155379-A1 HETEROCYCLE AMINES AND USES THEREOF HNMT, NQO1, ACHE PIK3CA 2230/4885ABL1 37/4885FLT3 192/4885

“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.