SCHEMBL19916796

SCHEMBL19916796

CCCC(C)(CC)c1cnn2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.45
AXL P30530 1/20 0.45
CDK2 P24941 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
BMP4 P12644 1/20 0.36
KDM4E B2RXH2 3/20 0.35
PKM P14618 1/20 0.35
IRAK4 Q9NWZ3 4/20 0.35
PDE10A Q9Y233 1/20 0.34
JAK1 P23458 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PDE2A O00408 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CSF1R P07333 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
SCHEMBL21889471 0.87 SMPD3 (0.46) SMPD3AXLCDK2HSD17B10ALDH1A1
SCHEMBL19863991 0.83 SMPD3 (0.49) SMPD3AXLCDK2HSD17B10ALDH1A1
SCHEMBL803428 0.79 SMPD3 (0.55) SMPD3AXLCDK2HSD17B10ALDH1A1
SCHEMBL19916808 0.76 JAK2 (0.42) SMPD3
SCHEMBL21064266 0.73 SMPD3 (0.40) SMPD3AXLCDK2HSD17B10ALDH1A1
SCHEMBL31757050 0.73 SMPD3 (0.55) SMPD3AXLCDK2HSD17B10ALDH1A1
SCHEMBL18673969 0.70 HTT (0.32) SMPD3AXL
SCHEMBL805457 0.69 SMPD3 (0.55) SMPD3AXLCDK2HSD17B10ALDH1A1
SCHEMBL19916752 0.69 JAK2 (0.41) SMPD3
SCHEMBL15979318 0.68 ESR1 (0.32)

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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 US disclosed
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 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-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885AXL 1068/4885CDK2 100/4885
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 SMPD3 3686/4885AXL 2741/4885CDK2 751/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885AXL 1068/4885CDK2 100/4885

“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.