SCHEMBL3707901

SCHEMBL3707901

O=C1Cc2ccccc2[C]=NN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.41
PDK2 Q15119 1/20 0.41
TDP2 O95551 3/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
MAP3K14 Q99558 1/20 0.39
AXL P30530 1/20 0.38
CYP1A2 P05177 1/20 0.35
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 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
SCHEMBL676633 0.72 CYP1A2 (0.41) AHRPDK2TDP2CASP3CASP7
SCHEMBL1738014 0.71 AHR (0.45) AHRPDK2TDP2CASP3CASP7
SCHEMBL158071 0.68 PNMT (0.35) MAOBHTR2C
SCHEMBL2940889 0.64 TRPA1 (0.44) AHRPDK2TDP2CASP3CASP7
SCHEMBL2313287 0.64 AHR (0.70) AHRPDK2TDP2CASP3CASP7
SCHEMBL599812 0.63 CYP1A2 (0.44) AHRPDK2TDP2CASP3CASP7
SCHEMBL334119 0.63 TRPA1 (0.42) CYP1A2MAOANPC1SMN1; SMN2MAPT
SCHEMBL16397452 0.63 KDM4E (0.32) CYP1A2NPC1MAPT
SCHEMBL1750074 0.61 MAOA (0.42) CYP1A2MAOANPC1SMN1; SMN2CYP2A6
SCHEMBL1750072 0.61 MAOA (0.42) CYP1A2MAOANPC1SMN1; SMN2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US claimed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US claimed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US claimed
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
EP-2776393-B1 NAMPT INHIBITORS ABBVIE INC (US) 2017-12-20 EP disclosed
US-9758511-B2 NAMPT inhibitors ABBVIE INC. (US) 2017-09-12 US disclosed
US-20170253562-A1 Nampt Inhibitors ABBVIE INC (US) 2017-09-07 US disclosed
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20170065575-A1 NAMPT INHIBITORS ABBVIE INC (US) 2017-03-09 US disclosed
US-20160193209-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-07-07 US disclosed
US-20160184281-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 US disclosed
WO-2013170118-A1 THIAZOLECARBOXAMIDE DERIVATIVES FOR USE AS NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
WO-2013170113-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2013-11-14 WO disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
EP-2640704-A1 NAMPT INHIBITORS Abbvie Inc. (US) 2013-09-25 EP disclosed
WO-2013067710-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2013-05-16 WO disclosed
WO-2012067963-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122924-A1 NAMPT INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (8 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-20120122924-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT AHR 3942/4885PDK2 370/4885TDP2 2436/4885
US-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK AHR 3376/4885PDK2 400/4885TDP2 1393/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 AHR 4268/4885PDK2 700/4885TDP2 1805/4885
US-20170253562-A1 Nampt Inhibitors NAMPT, NNMT, NAPRT AHR 3942/4885PDK2 370/4885TDP2 2436/4885
US-20170065575-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT AHR 3942/4885PDK2 370/4885TDP2 2436/4885
US-20160184281-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT AHR 3942/4885PDK2 370/4885TDP2 2436/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT AHR 3942/4885PDK2 370/4885TDP2 2436/4885
US-20160193209-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT AHR 3942/4885PDK2 370/4885TDP2 2436/4885

“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.