Sugi Predict

Sugi Predict / Compounds / SCHEMBL14090147

SCHEMBL14090147

SCHEMBL14090147

COc1ccc2c(c1)CCc1cnc(-n3cc(C(=O)Nc4ccc(CN5CCN(c6ccncc6)CC5)cc4)c(N)n3)nc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 6/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ABCB1 P08183 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CCR5 P51681 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CYP2C8 P10632 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL12833882 0.97 MAPT (0.45) HSD17B10KMT2AMAPTL3MBTL1TSHR
SCHEMBL14090140 0.94 HTR1A (0.40) HSD17B10KMT2AMAPTKDM4EABCB1
SCHEMBL14090138 0.90 HSD17B10 (0.42) HSD17B10KMT2AMAPTL3MBTL1TSHR
SCHEMBL14090151 0.89 SRPK1 (0.39) HSD17B10MAPTTSHRLMNAKDM4E
SCHEMBL14090159 0.88 IKBKB (0.40) HSD17B10KMT2AMAPTKDM4EHDAC1
SCHEMBL14090134 0.87 HTT (0.40) HSD17B10KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14090127 0.86 PTPN11 (0.41) MAPTKDM4EABCB1IKBKBCYP2C8
SCHEMBL14090004 0.85 IKBKB (0.42) MAPTKDM4EABCB1IKBKBCYP2C8
SCHEMBL14090143 0.85 KDM4E (0.41) KMT2AMAPTLMNASMN1; SMN2KDM4E
SCHEMBL14090108 0.84 IKBKB (0.41) MAPTKDM4EABCB1IKBKBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 HSD17B10 3401/4885KMT2A 1726/4885MAPT 3154/4885

“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.