SCHEMBL2931312

SCHEMBL2931312

Nc1ccc2c(NCCCN3CCOCC3)n[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 8/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ IDE P14735 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL2929620 0.93 CDC7 (0.50) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL10367734 0.83 KDM4E (0.57) ALDH1A1KDM4EMAPTLMNAHTT
Hydrochloric Acid SCHEMBL10369259 0.82 KDM4E (0.56) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL10371673 0.80 KDM4E (0.64) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL10371678 0.80 CDC7 (0.51) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL10368879 0.76 CDC7 (0.61) ALDH1A1KDM4EMAPTLMNAHPGD
SCHEMBL2931491 0.75 MAPT (0.51) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL2928975 0.74 GRM4 (0.49) ALDH1A1KDM4EMAPTLMNATSHR
SCHEMBL2932210 0.74 KDM4E (0.53) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4298327 0.72 CDC7 (0.57) ALDH1A1KDM4EMAPTHPGDHTT

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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 — — US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 — — US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 — — US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 — — 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB MELK 554/4885ALDH1A1 3036/4885KDM4E 769/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB MELK 554/4885ALDH1A1 3036/4885KDM4E 769/4885

“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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