SCHEMBL16069932

SCHEMBL16069932

O=C1c2ccccc2N=CC2Cc3ccccc3N12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ ERBB2 P04626 1/20 0.37
▸ AADAT Q8N5Z0 2/20 0.34
▸ GOT1 P17174 1/20 0.34
▸ KYAT1 Q16773 1/20 0.34
▸ KYAT3 Q6YP21 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 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
SCHEMBL13247401 1.00 NOTUM (0.40) NOTUMALDH1A1ERBB2AADATGOT1
SCHEMBL31011008 1.00 NOTUM (0.40) NOTUMALDH1A1ERBB2AADATGOT1
SCHEMBL22133029 0.84 ERBB2 (0.39) NOTUMALDH1A1ERBB2AADATKMT2A
SCHEMBL25908151 0.84 ERBB2 (0.39) NOTUMALDH1A1ERBB2AADAT
SCHEMBL13256748 0.84 ERBB2 (0.39) NOTUMALDH1A1ERBB2AADATGOT1
SCHEMBL25804321 0.84 ERBB2 (0.42) NOTUMALDH1A1ERBB2AADATGOT1
SCHEMBL22005902 0.84 ERBB2 (0.42) NOTUMALDH1A1ERBB2AADATGOT1
SCHEMBL14877746 0.83 ERBB2 (0.41) NOTUMALDH1A1ERBB2KMT2AKDM4E
SCHEMBL19339961 0.81 ERBB2 (0.42) ALDH1A1ERBB2AADATKYAT1KYAT3
SCHEMBL17915864 0.81 ERBB2 (0.41) NOTUMALDH1A1ERBB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442809-B2 Methods for preparing substituted 12a,13-dihydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indol-6-ones IMMUNOGEN, INC. (US) 2019-10-15 — — US disclosed
US-9987374-B2 Cyclodextrin and antibody-drug conjugate formulations SEATTLE GENETICS, INC. (US) 2018-06-05 — — US disclosed
US-20170232112-A1 CYCLODEXTRIN AND ANTIBODY-DRUG CONJUGATE FORMULATIONS SEATTLE GENETICS, INC. (US) 2017-08-17 — — US disclosed
US-20170232112-A1 CYCLODEXTRIN AND ANTIBODY-DRUG CONJUGATE FORMULATIONS SEATTLE GENETICS, INC. (US) 2017-08-17 — — US disclosed
US-9610361-B2 Cyclodextrin and antibody-drug conjugate formulations SEATTLE GENETICS, INC. (US) 2017-04-04 — — US disclosed
US-9610361-B2 Cyclodextrin and antibody-drug conjugate formulations SEATTLE GENETICS, INC. (US) 2017-04-04 — — US disclosed
US-9453046-B2 Activated carbon filtration for purification of benzodiazepine ADCs SEATTLE GENETICS, INC. (US) 2016-09-27 — — US disclosed
US-9453046-B2 Activated carbon filtration for purification of benzodiazepine ADCs SEATTLE GENETICS, INC. (US) 2016-09-27 — — US disclosed
US-20160039870-A1 ACTIVATED CARBON FILTRATION FOR PURIFICATION OF BENZODIAZEPINE ADCS SEATTLE GENETICS, INC. (US) 2016-02-11 — — US disclosed
US-20160039870-A1 ACTIVATED CARBON FILTRATION FOR PURIFICATION OF BENZODIAZEPINE ADCS SEATTLE GENETICS, INC. (US) 2016-02-11 — — US disclosed
WO-2014165119-A1 CYCLODEXTRIN AND ANTIBODY-DRUG CONJUGATE FORMULATIONS SEATTLE GENETICS, INC. (US) 2014-10-09 — — WO disclosed
WO-2014143622-A1 ACTIVATED CARBON FILTRATION FOR PURIFICATION OF BENZODIAZEPINE ADCs SEATTLE GENETICS, INC. (US) 2014-09-18 — — 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 (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-20160039870-A1 ACTIVATED CARBON FILTRATION FOR PURIFICATION OF BENZODIAZEPINE ADCS GABRA4, GABRA3, GABRA2 NOTUM 3029/4885ALDH1A1 654/4885ERBB2 495/4885
US-10442809-B2 Methods for preparing substituted 12a,13-dihydro-6H-benzo[5,6][1,4]diazepino[1,2-a]indol-6-ones HTR6, HTR3D, HTR3C NOTUM 3541/4885ALDH1A1 340/4885ERBB2 1053/4885
US-20170232112-A1 CYCLODEXTRIN AND ANTIBODY-DRUG CONJUGATE FORMULATIONS CDR2, GABRA6, GABRA4 NOTUM 2535/4885ALDH1A1 610/4885ERBB2 839/4885

“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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