SCHEMBL617628

SCHEMBL617628

c1cc(P(c2ccncc2)c2ccncc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNA1 Q09470 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSD P07339 1/20 0.40
DDAH1 O94760 1/20 0.40
NOS1 P29475 1/20 0.40
NOTUM Q6P988 1/20 0.38
LOXL2 Q9Y4K0 2/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL617504 0.88 CYP3A4 (0.67) LMNAMAPTCYP3A4TDP1MEN1
SCHEMBL9623978 0.84 NPC1 (0.40) LMNAMAPTTDP1MEN1KMT2A
SCHEMBL9624735 0.78 CYP1A2 (0.53) LMNACYP3A4TDP1MEN1KMT2A
SCHEMBL14422401 0.76 MAPT (0.53) LMNAMAPTCYP3A4MEN1KMT2A
Pyridine SCHEMBL27493211 0.76 TDP1 (0.67) LMNAMAPTCYP3A4TDP1MEN1
Pyridine SCHEMBL9418289 0.74 TDP1 (0.63) LMNAMAPTCYP3A4TDP1MEN1
SCHEMBL29061582 0.73 MAPT (0.42) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL10357051 0.73
SCHEMBL7919790 0.71 MAPT (0.40) LMNAMAPTCYP3A4MEN1KMT2A
SCHEMBL4840767 0.71 LMNA (0.40) LMNAMAPTCYP3A4MEN1KMT2A

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474177-A2 NON-INVASIVE DIAGNOSTIC IMAGING TECHNOLOGY FOR MITOCHONDRIA USING RADIOLABELED LIPOPHILIC SALTS The John Hopkins University (US) 2004-11-10 EP claimed
WO-2003065882-A2 NON-INVASIVE DIAGNOSTIC IMAGING TECHNOLOGY FOR MITOCHONDRIA USING RADIOLABELED LIPOPHILIC SALTS THE JOHNS HOPKINS UNIVERSITY (US) 2003-08-14 WO claimed
CN-118324848-A Process for preparing cytotoxic benzodiazepine derivatives 伊缪诺金公司 2024-07-12 CN disclosed
US-11981688-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2024-05-14 US disclosed
US-11981687-B2 Methods of preparing cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2024-05-14 US disclosed
EP-4361128-A2 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2024-05-01 EP disclosed
EP-3880681-B1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN INC (US) 2024-03-13 EP disclosed
EP-4286387-A2 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2023-12-06 EP disclosed
CN-110225904-B Process for preparing cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-10-27 CN disclosed
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-08-17 US disclosed
CN-116554262-A Process for preparing cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-08-08 CN disclosed
WO-2017015495-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2017-01-26 WO disclosed
WO-2017015502-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC (US) 2017-01-26 WO disclosed
WO-2017015496-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. (US) 2017-01-26 WO disclosed
US-20130001472-A1 THIN FILM AND COMPOUND USED IN THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
EP-2423192-A1 METAL COMPLEX HAVING AROMATIC LIGAND THAT CONTAINS NITROGEN ATOM Sumitomo Chemical Company, Limited (JP) 2012-02-29 EP disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-1474177-A2 NON-INVASIVE DIAGNOSTIC IMAGING TECHNOLOGY FOR MITOCHONDRIA USING RADIOLABELED LIPOPHILIC SALTS The John Hopkins University (US) 2004-11-10 EP disclosed
WO-2003065882-A2 NON-INVASIVE DIAGNOSTIC IMAGING TECHNOLOGY FOR MITOCHONDRIA USING RADIOLABELED LIPOPHILIC SALTS THE JOHNS HOPKINS UNIVERSITY (US) 2003-08-14 WO disclosed
WO-1996017856-A1 SYNTHESIS OF BIDENTATE PHOSPHINES GRIFFITH UNIVERSITY (AU) 1996-06-13 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 (5 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-11981687-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 LMNA 945/4885MAPT 2658/4885CYP3A4 40/4885
US-11981688-B2 Methods of preparing cytotoxic benzodiazepine derivatives GABRA3, GABRA5, GABRA6 LMNA 945/4885MAPT 2658/4885CYP3A4 40/4885
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC LMNA 2372/4885MAPT 1381/4885CYP3A4 4299/4885
US-20230257400-A1 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA3, GABRA5, GABRB3 LMNA 809/4885MAPT 2722/4885CYP3A4 51/4885
US-20130001472-A1 THIN FILM AND COMPOUND USED IN THE SAME NR2E3, NR3C1, NR0B2 LMNA 2177/4885MAPT 2086/4885CYP3A4 1842/4885

“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.